(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone

C13H14F2O2 — CID 103447852

IUPAC(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(O)CCCC2)c1F
InChIInChI=1S/C13H14F2O2/c1-8-4-5-9(14)10(11(8)15)12(16)13(17)6-2-3-7-13/h4-5,17H,2-3,6-7H2,1H3
InChIKeySNPVJKCFSGEHNC-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.76
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone

(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone (PubChem CID 103447852) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
PubChem CID103447852
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(O)CCCC2)c1F
InChIInChI=1S/C13H14F2O2/c1-8-4-5-9(14)10(11(8)15)12(16)13(17)6-2-3-7-13/h4-5,17H,2-3,6-7H2,1H3
InChIKeySNPVJKCFSGEHNC-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568708
(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
CID 116570430
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
CID 82797779
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 114758838
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone (CID 103447852) is (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone is Cc1ccc(F)c(C(=O)C2(O)CCCC2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone?
The InChIKey is SNPVJKCFSGEHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-8-4-5-9(14)10(11(8)15)12(16)13(17)6-2-3-7-13/h4-5,17H,2-3,6-7H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone?
(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone has a molecular weight of 240.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 103447852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).