(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C12H12F3NO2 — CID 1245791

IUPAC(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-5-9(6-4-8)16-11(17)10-2-1-7-18-10/h3-6,10H,1-2,7H2,(H,16,17)/t10-/m0/s1
InChIKeyZMDVYRQLOGAPCH-JTQLQIEISA-N
MW259.23 g/mol
LogP2.82
Rot. Bonds2

About (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide

(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 1245791) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID1245791
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-5-9(6-4-8)16-11(17)10-2-1-7-18-10/h3-6,10H,1-2,7H2,(H,16,17)/t10-/m0/s1
InChIKeyZMDVYRQLOGAPCH-JTQLQIEISA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
2,2,2-trifluoroethyl N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamate
CID 94033220
N-phenyloxolane-2-carboxamide
CID 3453643
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate
CID 78625388
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 1245791) is (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is ZMDVYRQLOGAPCH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-5-9(6-4-8)16-11(17)10-2-1-7-18-10/h3-6,10H,1-2,7H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 1245791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).