(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one

C18H15FO — CID 138979307

IUPAC(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](F)C1=O
InChIInChI=1S/C18H15FO/c1-12-15(13-8-4-2-5-9-13)16(17(19)18(12)20)14-10-6-3-7-11-14/h2-11,16-17H,1H3/t16-,17+/m0/s1
InChIKeyVWPVMJYTMVGMFQ-DLBZAZTESA-N
MW266.32 g/mol
LogP4.16
Rot. Bonds2

About (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one

(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one (PubChem CID 138979307) has the molecular formula C18H15FO and a molecular weight of 266.32 g/mol. Its IUPAC name is (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one
PubChem CID138979307
Molecular FormulaC18H15FO
Molecular Weight266.32 g/mol
Exact Mass266.11
IUPAC Name(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](F)C1=O
InChIInChI=1S/C18H15FO/c1-12-15(13-8-4-2-5-9-13)16(17(19)18(12)20)14-10-6-3-7-11-14/h2-11,16-17H,1H3/t16-,17+/m0/s1
InChIKeyVWPVMJYTMVGMFQ-DLBZAZTESA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477
(4S)-4-chloro-2-methyl-3-phenylcyclobut-2-en-1-one
CID 820091
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
2,4-dimethyl-3-phenylcyclopent-2-en-1-one
CID 14758486
4-methyl-5-phenyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 72800982
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560
(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one
CID 142808739
(5Z)-5-butan-2-ylidene-2-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 102142073
2,3,4,5-tetraphenyl-2,5-dihydro-1H-germole
CID 173146259
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
CID 101115951
4-methyl-2,3,6-triphenyl-2H-thiopyran
CID 15537466

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one (CID 138979307) is (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one is CC1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](F)C1=O.
What is the InChIKey of (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The InChIKey is VWPVMJYTMVGMFQ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H15FO/c1-12-15(13-8-4-2-5-9-13)16(17(19)18(12)20)14-10-6-3-7-11-14/h2-11,16-17H,1H3/t16-,17+/m0/s1.
What are the key properties of (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one has a molecular weight of 266.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 138979307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).