(4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride

C5H10ClF2NO — CID 75481674

IUPAC(4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride
SMILESCl.OCC1CC(F)(F)CN1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H
InChIKeyJWAVXSQHRZARDV-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.40
Rot. Bonds1

About (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride

(4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride (PubChem CID 75481674) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride
PubChem CID75481674
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name(4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride
SMILESCl.OCC1CC(F)(F)CN1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H
InChIKeyJWAVXSQHRZARDV-UHFFFAOYSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride (CID 75481674) is (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride is Cl.OCC1CC(F)(F)CN1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride?
The InChIKey is JWAVXSQHRZARDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride?
(4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 75481674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).