(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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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).