(3S)-3-(trifluoromethyl)oxolan-3-amine

C5H8F3NO — CID 52810912

IUPAC(3S)-3-(trifluoromethyl)oxolan-3-amine
SMILESN[C@@]1(C(F)(F)F)CCOC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2/t4-/m0/s1
InChIKeyGCSHUWRZDOUZNN-BYPYZUCNSA-N
MW155.12 g/mol
LogP0.67
Rot. Bonds

About (3S)-3-(trifluoromethyl)oxolan-3-amine

(3S)-3-(trifluoromethyl)oxolan-3-amine (PubChem CID 52810912) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)oxolan-3-amine
PubChem CID52810912
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name(3S)-3-(trifluoromethyl)oxolan-3-amine
SMILESN[C@@]1(C(F)(F)F)CCOC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2/t4-/m0/s1
InChIKeyGCSHUWRZDOUZNN-BYPYZUCNSA-N
XLogP0.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(trifluoromethyl)oxolan-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)-3-(trifluoromethyl)oxolan-3-amine?
The IUPAC name of (3S)-3-(trifluoromethyl)oxolan-3-amine (CID 52810912) is (3S)-3-(trifluoromethyl)oxolan-3-amine.
What is the SMILES notation for (3S)-3-(trifluoromethyl)oxolan-3-amine?
The canonical SMILES for (3S)-3-(trifluoromethyl)oxolan-3-amine is N[C@@]1(C(F)(F)F)CCOC1.
What is the InChIKey of (3S)-3-(trifluoromethyl)oxolan-3-amine?
The InChIKey is GCSHUWRZDOUZNN-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2/t4-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)oxolan-3-amine?
(3S)-3-(trifluoromethyl)oxolan-3-amine has a molecular weight of 155.12 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)oxolan-3-amine is sourced from PubChem (CID 52810912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).