3-(difluoromethyl)-1-methylpyrrolidin-3-amine

C6H12F2N2 — CID 80605013

IUPAC3-(difluoromethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)(C(F)F)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-2-6(9,4-10)5(7)8/h5H,2-4,9H2,1H3
InChIKeyJEGIBQGXNJMUAX-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.28
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrrolidin-3-amine

3-(difluoromethyl)-1-methylpyrrolidin-3-amine (PubChem CID 80605013) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrrolidin-3-amine
PubChem CID80605013
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name3-(difluoromethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)(C(F)F)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-2-6(9,4-10)5(7)8/h5H,2-4,9H2,1H3
InChIKeyJEGIBQGXNJMUAX-UHFFFAOYSA-N
XLogP0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-1-methylpyrrolidin-3-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 3-(difluoromethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-3-amine (CID 80605013) is 3-(difluoromethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrrolidin-3-amine is CN1CCC(N)(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is JEGIBQGXNJMUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-10-3-2-6(9,4-10)5(7)8/h5H,2-4,9H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylpyrrolidin-3-amine?
3-(difluoromethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 150.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 80605013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).