AB20077
21045-62-5 | 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB20077
ChemicalName
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CasNumber
21045-62-5
MolecularFormula
C8H12F3NO
MolecularWeight
195.1822
MdlNumber
MFCD00115108
Smiles
CCN(C=CC(=O)C(F)(F)F)CC
Complexity
194
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AB20077
ChemicalName: 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CasNumber: 21045-62-5
MolecularFormula: C8H12F3NO
MolecularWeight: 195.1822
MdlNumber: MFCD00115108
Smiles: CCN(C=CC(=O)C(F)(F)F)CC
Complexity: 194
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB20077
ChemicalName:
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CasNumber:
21045-62-5
MolecularFormula:
C8H12F3NO
MolecularWeight:
195.1822
MdlNumber:
MFCD00115108
Smiles:
CCN(C=CC(=O)C(F)(F)F)CC
Complexity:
194
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: Brc1cc(c(c(c1)C(F)(F)F)C(=O)O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1cc(c(c(c1)C(F)(F)F)C(=O)O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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RotatableBondCount:
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Smiles: Brc1nc(sc1C)c1ccccc1
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularWeight:
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Smiles:
Brc1nc(sc1C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CC(Oc1ccc(c(c1)C(=O)O)Br)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Oc1ccc(c(c1)C(=O)O)Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__