(2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one

C24H21F2NO — CID 143527516

IUPAC(2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one
SMILES[H]/N=C(\CCc1cccc(F)c1)C(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H21F2NO/c1-16(24(28)23(27)13-10-17-6-5-9-20(25)14-17)19-11-12-21(22(26)15-19)18-7-3-2-4-8-18/h2-9,11-12,14-16,27H,10,13H2,1H3/b27-23+/t16-/m1/s1
InChIKeyAQSKXMVBPGLXGP-ZBCNTGKUSA-N
MW377.43 g/mol
LogP5.96
Rot. Bonds7

About (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one

(2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one (PubChem CID 143527516) has the molecular formula C24H21F2NO and a molecular weight of 377.43 g/mol. Its IUPAC name is (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one.

Molecular Properties

Compound Name(2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one
PubChem CID143527516
Molecular FormulaC24H21F2NO
Molecular Weight377.43 g/mol
Exact Mass377.16
IUPAC Name(2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one
SMILES[H]/N=C(\CCc1cccc(F)c1)C(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H21F2NO/c1-16(24(28)23(27)13-10-17-6-5-9-20(25)14-17)19-11-12-21(22(26)15-19)18-7-3-2-4-8-18/h2-9,11-12,14-16,27H,10,13H2,1H3/b27-23+/t16-/m1/s1
InChIKeyAQSKXMVBPGLXGP-ZBCNTGKUSA-N
XLogP5.96
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.43
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3,4-Difluorophenyl)phenyl]cyclohexan-1-one
CID 19095026
3-(2-Fluoro-4-biphenylyl)-5-phenylpentan-2-one
CID 19591605
4-[2,3-Difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexan-1-one
CID 22011578
1-[4-(2,3-Difluoro-4-methylphenyl)cyclohexyl]-2-(4-methylcyclohexyl)ethanone
CID 22886845
2-[4-(2,3-Difluoro-4-methylphenyl)cyclohexyl]-1-(4-methylcyclohexyl)ethanone
CID 22886891
2-[2,3-Difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexan-1-one
CID 54076959
3-Imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56985728
3-Imino-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56991004
2-(3-Fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one
CID 56992192
3-Imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57039382
3-Imino-2-[4-methyl-3-(trifluoromethyl)phenyl]-5-phenylcyclopentan-1-one
CID 57061320
3-(5-Fluoro-2-methylphenyl)-5-iminocyclohexan-1-one
CID 57129853

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one?
The IUPAC name of (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one (CID 143527516) is (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one.
What is the SMILES notation for (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one?
The canonical SMILES for (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one is [H]/N=C(\CCc1cccc(F)c1)C(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one?
The InChIKey is AQSKXMVBPGLXGP-ZBCNTGKUSA-N. The full InChI is InChI=1S/C24H21F2NO/c1-16(24(28)23(27)13-10-17-6-5-9-20(25)14-17)19-11-12-21(22(26)15-19)18-7-3-2-4-8-18/h2-9,11-12,14-16,27H,10,13H2,1H3/b27-23+/t16-/m1/s1.
What are the key properties of (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one?
(2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one has a molecular weight of 377.43 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(3-fluorophenyl)-2-(3-fluoro-4-phenylphenyl)-4-iminohexan-3-one is sourced from PubChem (CID 143527516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).