(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one

C13H14ClFO — CID 125498696

IUPAC(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C[C@@H](c2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C13H14ClFO/c1-13(2)7-9(6-12(13)16)8-3-4-11(15)10(14)5-8/h3-5,9H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyIDFZAFGNPCKVEZ-VIFPVBQESA-N
MW240.70 g/mol
LogP3.95
Rot. Bonds1

About (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one

(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one (PubChem CID 125498696) has the molecular formula C13H14ClFO and a molecular weight of 240.70 g/mol. Its IUPAC name is (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
PubChem CID125498696
Molecular FormulaC13H14ClFO
Molecular Weight240.70 g/mol
Exact Mass240.07
IUPAC Name(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C[C@@H](c2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C13H14ClFO/c1-13(2)7-9(6-12(13)16)8-3-4-11(15)10(14)5-8/h3-5,9H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyIDFZAFGNPCKVEZ-VIFPVBQESA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 141351500
4-(4-chloro-2-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 71114847
(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498764
3-(3-chloro-4-fluorophenyl)-2-methylcyclobutan-1-one
CID 81418582
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CID 146096853
2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
CID 142422134
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 81165826
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid
CID 70496379
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one (CID 125498696) is (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one is CC1(C)C[C@@H](c2ccc(F)c(Cl)c2)CC1=O.
What is the InChIKey of (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is IDFZAFGNPCKVEZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14ClFO/c1-13(2)7-9(6-12(13)16)8-3-4-11(15)10(14)5-8/h3-5,9H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one?
(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one has a molecular weight of 240.70 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 125498696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).