(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C13H14F3NO2 — CID 95629587

IUPAC(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESO=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-17(11-4-2-1-3-5-11)12(18)10-6-7-19-8-10/h1-5,10H,6-9H2/t10-/m0/s1
InChIKeyKURGOSNPDXBQCK-JTQLQIEISA-N
MW273.25 g/mol
LogP2.62
Rot. Bonds3

About (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 95629587) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID95629587
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESO=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-17(11-4-2-1-3-5-11)12(18)10-6-7-19-8-10/h1-5,10H,6-9H2/t10-/m0/s1
InChIKeyKURGOSNPDXBQCK-JTQLQIEISA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)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

Related Compounds

N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
CID 95620326
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide
CID 4603731
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458
methyl (2S)-2-(N-[(3S)-oxolane-3-carbonyl]anilino)butanoate
CID 129379975
5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 86967765
(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
CID 129433195
(2S)-2-[methyl-[(3S)-oxolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125120952

Frequently Asked Questions

What is the IUPAC name of (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 95629587) is (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is O=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1.
What is the InChIKey of (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is KURGOSNPDXBQCK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)9-17(11-4-2-1-3-5-11)12(18)10-6-7-19-8-10/h1-5,10H,6-9H2/t10-/m0/s1.
What are the key properties of (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 95629587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).