2-cyclopentyl-1-(2,5-difluorophenyl)ethanol

C13H16F2O — CID 61101489

IUPAC2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
SMILESOC(CC1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2O/c14-10-5-6-12(15)11(8-10)13(16)7-9-3-1-2-4-9/h5-6,8-9,13,16H,1-4,7H2
InChIKeySGDYGZKHKIXAMN-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.58
Rot. Bonds3

About 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol

2-cyclopentyl-1-(2,5-difluorophenyl)ethanol (PubChem CID 61101489) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
PubChem CID61101489
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
SMILESOC(CC1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2O/c14-10-5-6-12(15)11(8-10)13(16)7-9-3-1-2-4-9/h5-6,8-9,13,16H,1-4,7H2
InChIKeySGDYGZKHKIXAMN-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
CID 103165469
3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132403
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol (CID 61101489) is 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol is OC(CC1CCCC1)c1cc(F)ccc1F.
What is the InChIKey of 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol?
The InChIKey is SGDYGZKHKIXAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c14-10-5-6-12(15)11(8-10)13(16)7-9-3-1-2-4-9/h5-6,8-9,13,16H,1-4,7H2.
What are the key properties of 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol?
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol has a molecular weight of 226.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 61101489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).