4,4-difluoro-1-methylpyrrolidin-2-amine

C5H10F2N2 — CID 146751942

IUPAC4,4-difluoro-1-methylpyrrolidin-2-amine
SMILESCN1CC(F)(F)CC1N
InChIInChI=1S/C5H10F2N2/c1-9-3-5(6,7)2-4(9)8/h4H,2-3,8H2,1H3
InChIKeyRNLYAKCJODNFAM-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.24
Rot. Bonds

About 4,4-difluoro-1-methylpyrrolidin-2-amine

4,4-difluoro-1-methylpyrrolidin-2-amine (PubChem CID 146751942) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpyrrolidin-2-amine.

Molecular Properties

Compound Name4,4-difluoro-1-methylpyrrolidin-2-amine
PubChem CID146751942
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name4,4-difluoro-1-methylpyrrolidin-2-amine
SMILESCN1CC(F)(F)CC1N
InChIInChI=1S/C5H10F2N2/c1-9-3-5(6,7)2-4(9)8/h4H,2-3,8H2,1H3
InChIKeyRNLYAKCJODNFAM-UHFFFAOYSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-1-methylpyrrolidin-2-amine 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-1-methylpyrrolidin-2-amine?
The IUPAC name of 4,4-difluoro-1-methylpyrrolidin-2-amine (CID 146751942) is 4,4-difluoro-1-methylpyrrolidin-2-amine.
What is the SMILES notation for 4,4-difluoro-1-methylpyrrolidin-2-amine?
The canonical SMILES for 4,4-difluoro-1-methylpyrrolidin-2-amine is CN1CC(F)(F)CC1N.
What is the InChIKey of 4,4-difluoro-1-methylpyrrolidin-2-amine?
The InChIKey is RNLYAKCJODNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-9-3-5(6,7)2-4(9)8/h4H,2-3,8H2,1H3.
What are the key properties of 4,4-difluoro-1-methylpyrrolidin-2-amine?
4,4-difluoro-1-methylpyrrolidin-2-amine has a molecular weight of 136.15 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpyrrolidin-2-amine is sourced from PubChem (CID 146751942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).