2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

C13H13F3O2 — CID 55116317

IUPAC2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(17)8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2
InChIKeyMKSSDFSSSMUTRF-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.46
Rot. Bonds3

About 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 55116317) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID55116317
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(17)8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2
InChIKeyMKSSDFSSSMUTRF-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone 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

1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
CID 65159707
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 96569116
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
1-(4-amino-3-chlorophenyl)-2-(oxolan-2-yl)ethanone
CID 65159863
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 78798860
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 1085187

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 55116317) is 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is O=C(CC1CCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MKSSDFSSSMUTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(17)8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2.
What are the key properties of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 258.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 55116317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).