4,4-difluoro-2-methylpyrrolidine;hydrochloride

C5H10ClF2N — CID 105430858

IUPAC4,4-difluoro-2-methylpyrrolidine;hydrochloride
SMILESCC1CC(F)(F)CN1.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-4-2-5(6,7)3-8-4;/h4,8H,2-3H2,1H3;1H
InChIKeyZGZHSDULQGNJPY-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.43
Rot. Bonds

About 4,4-difluoro-2-methylpyrrolidine;hydrochloride

4,4-difluoro-2-methylpyrrolidine;hydrochloride (PubChem CID 105430858) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 4,4-difluoro-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2-methylpyrrolidine;hydrochloride
PubChem CID105430858
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name4,4-difluoro-2-methylpyrrolidine;hydrochloride
SMILESCC1CC(F)(F)CN1.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-4-2-5(6,7)3-8-4;/h4,8H,2-3H2,1H3;1H
InChIKeyZGZHSDULQGNJPY-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoro-2-methylpyrrolidine;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-difluoro-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 4,4-difluoro-2-methylpyrrolidine;hydrochloride (CID 105430858) is 4,4-difluoro-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-2-methylpyrrolidine;hydrochloride is CC1CC(F)(F)CN1.Cl.
What is the InChIKey of 4,4-difluoro-2-methylpyrrolidine;hydrochloride?
The InChIKey is ZGZHSDULQGNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-4-2-5(6,7)3-8-4;/h4,8H,2-3H2,1H3;1H.
What are the key properties of 4,4-difluoro-2-methylpyrrolidine;hydrochloride?
4,4-difluoro-2-methylpyrrolidine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 105430858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).