(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one

C24H17F3O — CID 142808739

IUPAC(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C(c2ccc(F)cc2)=C(c2ccccc2)C1c1cc(F)cc(F)c1
InChIInChI=1S/C24H17F3O/c1-14-21(17-11-19(26)13-20(27)12-17)22(15-5-3-2-4-6-15)23(24(14)28)16-7-9-18(25)10-8-16/h2-14,21H,1H3/t14-,21?/m0/s1
InChIKeySUBZYRXJPAIDHL-YXWRBFHGSA-N
MW378.39 g/mol
LogP6.02
Rot. Bonds3

About (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one

(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one (PubChem CID 142808739) has the molecular formula C24H17F3O and a molecular weight of 378.39 g/mol. Its IUPAC name is (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one
PubChem CID142808739
Molecular FormulaC24H17F3O
Molecular Weight378.39 g/mol
Exact Mass378.12
IUPAC Name(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C(c2ccc(F)cc2)=C(c2ccccc2)C1c1cc(F)cc(F)c1
InChIInChI=1S/C24H17F3O/c1-14-21(17-11-19(26)13-20(27)12-17)22(15-5-3-2-4-6-15)23(24(14)28)16-7-9-18(25)10-8-16/h2-14,21H,1H3/t14-,21?/m0/s1
InChIKeySUBZYRXJPAIDHL-YXWRBFHGSA-N
XLogP6.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
(4S,5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one
CID 91423117
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528
2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one
CID 71372881
(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 138979307
(1R,2S,6S,7R)-4,5,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 98174899
[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
CID 134888097
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110594516
3-anilino-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586261
(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one
CID 162416769
4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 20658572

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one (CID 142808739) is (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one is C[C@@H]1C(=O)C(c2ccc(F)cc2)=C(c2ccccc2)C1c1cc(F)cc(F)c1.
What is the InChIKey of (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is SUBZYRXJPAIDHL-YXWRBFHGSA-N. The full InChI is InChI=1S/C24H17F3O/c1-14-21(17-11-19(26)13-20(27)12-17)22(15-5-3-2-4-6-15)23(24(14)28)16-7-9-18(25)10-8-16/h2-14,21H,1H3/t14-,21?/m0/s1.
What are the key properties of (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one?
(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 378.39 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 142808739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).