4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one

C13H14F2O — CID 141351500

IUPAC4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CC(c2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C13H14F2O/c1-13(2)7-9(6-12(13)16)8-3-4-10(14)11(15)5-8/h3-5,9H,6-7H2,1-2H3
InChIKeyCTNALXAQAPLBEG-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.44
Rot. Bonds1

About 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one

4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one (PubChem CID 141351500) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one
PubChem CID141351500
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CC(c2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C13H14F2O/c1-13(2)7-9(6-12(13)16)8-3-4-10(14)11(15)5-8/h3-5,9H,6-7H2,1-2H3
InChIKeyCTNALXAQAPLBEG-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498696
4-(4-chloro-2-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 71114847
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-2-one
CID 22004299
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498764
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 70971674
3-(3,4-difluorophenyl)-1-methyl-1-oxidopyrrolidin-1-ium
CID 87297104
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
4-[4-[4-(2,2-dibromocyclopropyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 121400832

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one (CID 141351500) is 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one is CC1(C)CC(c2ccc(F)c(F)c2)CC1=O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is CTNALXAQAPLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-13(2)7-9(6-12(13)16)8-3-4-10(14)11(15)5-8/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one?
4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one has a molecular weight of 224.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 141351500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).