(3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide

C12H12F4N2O2 — CID 163395368

IUPAC(3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESN[C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4N2O2/c13-9-2-1-6(3-8(9)12(14,15)16)18-11(19)7-4-20-5-10(7)17/h1-3,7,10H,4-5,17H2,(H,18,19)/t7-,10+/m0/s1
InChIKeySANAOTMTWACMHD-OIBJUYFYSA-N
MW292.23 g/mol
LogP1.76
Rot. Bonds2

About (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide

(3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 163395368) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
PubChem CID163395368
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Name(3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESN[C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4N2O2/c13-9-2-1-6(3-8(9)12(14,15)16)18-11(19)7-4-20-5-10(7)17/h1-3,7,10H,4-5,17H2,(H,18,19)/t7-,10+/m0/s1
InChIKeySANAOTMTWACMHD-OIBJUYFYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide 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-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (CID 163395368) is (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is N[C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is SANAOTMTWACMHD-OIBJUYFYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-9-2-1-6(3-8(9)12(14,15)16)18-11(19)7-4-20-5-10(7)17/h1-3,7,10H,4-5,17H2,(H,18,19)/t7-,10+/m0/s1.
What are the key properties of (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
(3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 292.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 163395368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).