(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine

C6H13FN2 — CID 70395602

IUPAC(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine
SMILESC[C@]1(N)CNC[C@@H]1CF
InChIInChI=1S/C6H13FN2/c1-6(8)4-9-3-5(6)2-7/h5,9H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKeyRPWFYWLKEBZHLR-WDSKDSINSA-N
MW132.18 g/mol
LogP-0.11
Rot. Bonds1

About (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine

(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine (PubChem CID 70395602) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine
PubChem CID70395602
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine
SMILESC[C@]1(N)CNC[C@@H]1CF
InChIInChI=1S/C6H13FN2/c1-6(8)4-9-3-5(6)2-7/h5,9H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKeyRPWFYWLKEBZHLR-WDSKDSINSA-N
XLogP-0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-(fluoromethyl)-3-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 (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine (CID 70395602) is (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine is C[C@]1(N)CNC[C@@H]1CF.
What is the InChIKey of (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine?
The InChIKey is RPWFYWLKEBZHLR-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13FN2/c1-6(8)4-9-3-5(6)2-7/h5,9H,2-4,8H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine?
(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine has a molecular weight of 132.18 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 70395602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).