(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine

C5H11FN2 — CID 10953477

IUPAC(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@@H]1CF
InChIInChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m0/s1
InChIKeyGZWCITMIQSNGLN-CRCLSJGQSA-N
MW118.16 g/mol
LogP-0.50
Rot. Bonds1

About (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine

(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine (PubChem CID 10953477) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine
PubChem CID10953477
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@@H]1CF
InChIInChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m0/s1
InChIKeyGZWCITMIQSNGLN-CRCLSJGQSA-N
XLogP-0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-(fluoromethyl)pyrrolidin-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

Related Compounds

3-Aminopyrrolidine
CID 164401
(3S)-(-)-3-Aminopyrrolidine
CID 1519351
(3R)-pyrrolidin-3-amine
CID 1519352
1,4-Dimethylpyrrolidin-3-amine
CID 13933139
N,N,4-trimethylpyrrolidin-3-amine
CID 53740082
Pyrrolidine-3,4-diamine
CID 12988583
3-Pyrrolidinemethanamine,N-cyclopropyl-4-fluoro-,(3R,4S)-(9CI)
CID 23062073
3-(Fluoromethyl)pyrrolidin-3-amine dihydrochloride
CID 165943373
2,3,7-Triazabicyclo[3.3.0]oct-2-ene
CID 90768268
N-(((3R,4S)-4-Fluoropyrrolidin-3-yl)methyl)cyclopropanamine
CID 11147857
3-(2-Fluoroethylaminomethyl)pyrrolidine
CID 14307756
trans-4-Fluoropyrrolidin-3-amine
CID 14612503

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine (CID 10953477) is (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine is N[C@@H]1CNC[C@@H]1CF.
What is the InChIKey of (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine?
The InChIKey is GZWCITMIQSNGLN-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine?
(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine has a molecular weight of 118.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 10953477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).