cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one

C20H19FO3 — CID 134962595

IUPACcis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one
SMILESC[C@]1(F)C(=O)CC[C@@]1(O)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H19FO3/c1-19(21)17(22)11-12-20(19,24)13-15-9-5-6-10-16(15)18(23)14-7-3-2-4-8-14/h2-10,24H,11-13H2,1H3/t19-,20+/m0/s1
InChIKeyTXZNELQJLPXOTR-VQTJNVASSA-N
MW326.37 g/mol
LogP3.28
Rot. Bonds4

About cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one

cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one (PubChem CID 134962595) has the molecular formula C20H19FO3 and a molecular weight of 326.37 g/mol. Its IUPAC name is cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one
PubChem CID134962595
Molecular FormulaC20H19FO3
Molecular Weight326.37 g/mol
Exact Mass326.13
IUPAC Namecis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one
SMILESC[C@]1(F)C(=O)CC[C@@]1(O)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H19FO3/c1-19(21)17(22)11-12-20(19,24)13-15-9-5-6-10-16(15)18(23)14-7-3-2-4-8-14/h2-10,24H,11-13H2,1H3/t19-,20+/m0/s1
InChIKeyTXZNELQJLPXOTR-VQTJNVASSA-N
XLogP3.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-1,5-diphenylhexane-1,3-dione
CID 241655
2-Hydroxy-2-(2-oxo-2-phenylethyl)-1H-indene-1,3(2H)-dione
CID 854945
3-Benzyl-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one
CID 71505980
trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one
CID 134961564
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-[(4-bromophenyl)methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961565
cis-(2R,3R)-2-benzyl-3-[[2-(4-bromobenzoyl)phenyl]methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961566
cis-(2R,3R)-3-[[2-benzoyl-5-(trifluoromethyl)phenyl]methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961567
cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
CID 134962297
(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
CID 134963170
(1R,3'S)-5'-fluoro-3'-hydroxy-3'-methyl-2-propyl-1,2'-spirobi[indene]-1'-one
CID 139038791
3-Hydroxy-1,3-diphenylbutan-1-one
CID 12524520
4,4,4-Trifluoro-3-hydroxy-1,2-diphenyl-3-(trifluoromethyl)butan-1-one
CID 294127

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one (CID 134962595) is cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one is C[C@]1(F)C(=O)CC[C@@]1(O)Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one?
The InChIKey is TXZNELQJLPXOTR-VQTJNVASSA-N. The full InChI is InChI=1S/C20H19FO3/c1-19(21)17(22)11-12-20(19,24)13-15-9-5-6-10-16(15)18(23)14-7-3-2-4-8-14/h2-10,24H,11-13H2,1H3/t19-,20+/m0/s1.
What are the key properties of cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one?
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one has a molecular weight of 326.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one is sourced from PubChem (CID 134962595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).