[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium

C13H17F3NO+ — CID 7298330

IUPAC[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
SMILESFC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2/p+1/t11-/m0/s1
InChIKeyQMVUFIUACWHVEH-NSHDSACASA-O
MW260.28 g/mol
LogP1.95
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium

[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 7298330) has the molecular formula C13H17F3NO+ and a molecular weight of 260.28 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID7298330
Molecular FormulaC13H17F3NO+
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
SMILESFC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2/p+1/t11-/m0/s1
InChIKeyQMVUFIUACWHVEH-NSHDSACASA-O
XLogP1.95
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium 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

N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
CID 7129182
1-[2-(oxolan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 62542838
N-methyl-4-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 104993115
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105304775
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6942240
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[2-(trifluoromethyl)anilino]prop-2-enamide
CID 108839145

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium (CID 7298330) is [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium is FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is QMVUFIUACWHVEH-NSHDSACASA-O. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2/p+1/t11-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 260.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 7298330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).