(3,4-difluorocyclopentyl)methanol

C6H10F2O — CID 72541725

IUPAC(3,4-difluorocyclopentyl)methanol
SMILESOCC1CC(F)C(F)C1
InChIInChI=1S/C6H10F2O/c7-5-1-4(3-9)2-6(5)8/h4-6,9H,1-3H2
InChIKeyXWOKUVQCAHEQNX-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.06
Rot. Bonds1

About (3,4-difluorocyclopentyl)methanol

(3,4-difluorocyclopentyl)methanol (PubChem CID 72541725) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is (3,4-difluorocyclopentyl)methanol.

Molecular Properties

Compound Name(3,4-difluorocyclopentyl)methanol
PubChem CID72541725
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name(3,4-difluorocyclopentyl)methanol
SMILESOCC1CC(F)C(F)C1
InChIInChI=1S/C6H10F2O/c7-5-1-4(3-9)2-6(5)8/h4-6,9H,1-3H2
InChIKeyXWOKUVQCAHEQNX-UHFFFAOYSA-N
XLogP1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
4-ethyl-1,2-difluorocyclopentane
CID 76762029
[3-(bromomethyl)cyclobutyl]methanol
CID 155920804
[(1R,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
CID 124527310
1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
CID 126536230
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
CID 89195947
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
2-[[(1S)-3,4-difluoro-6-methylcycloheptyl]methyl]prop-2-en-1-ol
CID 155421203
1-[3-(hydroxymethyl)cyclobutyl]ethanone
CID 158201402
trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
CID 122468641
(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol
CID 55284947

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorocyclopentyl)methanol?
The IUPAC name of (3,4-difluorocyclopentyl)methanol (CID 72541725) is (3,4-difluorocyclopentyl)methanol.
What is the SMILES notation for (3,4-difluorocyclopentyl)methanol?
The canonical SMILES for (3,4-difluorocyclopentyl)methanol is OCC1CC(F)C(F)C1.
What is the InChIKey of (3,4-difluorocyclopentyl)methanol?
The InChIKey is XWOKUVQCAHEQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c7-5-1-4(3-9)2-6(5)8/h4-6,9H,1-3H2.
What are the key properties of (3,4-difluorocyclopentyl)methanol?
(3,4-difluorocyclopentyl)methanol has a molecular weight of 136.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorocyclopentyl)methanol is sourced from PubChem (CID 72541725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).