(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone

C14H16F2O — CID 107186982

IUPAC(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H16F2O/c1-14(2)8-4-6-10(14)13(17)9-5-3-7-11(15)12(9)16/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeyNAFHLHPCVDEAHN-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.97
Rot. Bonds2

About (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone

(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107186982) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107186982
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H16F2O/c1-14(2)8-4-6-10(14)13(17)9-5-3-7-11(15)12(9)16/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeyNAFHLHPCVDEAHN-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187410
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176367
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone (CID 107186982) is (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is NAFHLHPCVDEAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-14(2)8-4-6-10(14)13(17)9-5-3-7-11(15)12(9)16/h3,5,7,10H,4,6,8H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone?
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 238.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).