(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine

C5H9F3N2 — CID 89279556

IUPAC(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C5H9F3N2/c6-5(7,8)3-1-10-2-4(3)9/h3-4,10H,1-2,9H2/t3-,4-/m1/s1
InChIKeyILBWDQCTOYCDBC-QWWZWVQMSA-N
MW154.13 g/mol
LogP0.10
Rot. Bonds

About (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine

(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 89279556) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID89279556
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C5H9F3N2/c6-5(7,8)3-1-10-2-4(3)9/h3-4,10H,1-2,9H2/t3-,4-/m1/s1
InChIKeyILBWDQCTOYCDBC-QWWZWVQMSA-N
XLogP0.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine (CID 89279556) is (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine is N[C@@H]1CNC[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is ILBWDQCTOYCDBC-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)3-1-10-2-4(3)9/h3-4,10H,1-2,9H2/t3-,4-/m1/s1.
What are the key properties of (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine?
(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 154.13 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 89279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).