(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol

C13H16F2O — CID 115799747

IUPAC(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
SMILESCC1(C(O)c2c(F)cccc2F)CCCC1
InChIInChI=1S/C13H16F2O/c1-13(7-2-3-8-13)12(16)11-9(14)5-4-6-10(11)15/h4-6,12,16H,2-3,7-8H2,1H3
InChIKeySFBQTNZKAQAMHI-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.58
Rot. Bonds2

About (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol

(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol (PubChem CID 115799747) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
PubChem CID115799747
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
SMILESCC1(C(O)c2c(F)cccc2F)CCCC1
InChIInChI=1S/C13H16F2O/c1-13(7-2-3-8-13)12(16)11-9(14)5-4-6-10(11)15/h4-6,12,16H,2-3,7-8H2,1H3
InChIKeySFBQTNZKAQAMHI-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,6-difluorophenyl)-hydroxymethyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136343
2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828875
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
CID 106831073
2-(2-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828868
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
1-(2,6-difluorophenyl)ethanol
CID 5012075
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
CID 107292057
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858
1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448384
1-(2,6-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 54863683
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol?
The IUPAC name of (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol (CID 115799747) is (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol.
What is the SMILES notation for (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol?
The canonical SMILES for (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol is CC1(C(O)c2c(F)cccc2F)CCCC1.
What is the InChIKey of (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol?
The InChIKey is SFBQTNZKAQAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-13(7-2-3-8-13)12(16)11-9(14)5-4-6-10(11)15/h4-6,12,16H,2-3,7-8H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol?
(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol has a molecular weight of 226.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1-methylcyclopentyl)methanol is sourced from PubChem (CID 115799747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).