N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide

C12H12F3NO3 — CID 4878412

IUPACN-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCO1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)19-9-5-3-8(4-6-9)16-11(17)10-2-1-7-18-10/h3-6,10H,1-2,7H2,(H,16,17)
InChIKeyQBCUYSWPTCXECO-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.70
Rot. Bonds3

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

N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide (PubChem CID 4878412) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
PubChem CID4878412
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC NameN-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCO1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)19-9-5-3-8(4-6-9)16-11(17)10-2-1-7-18-10/h3-6,10H,1-2,7H2,(H,16,17)
InChIKeyQBCUYSWPTCXECO-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[3-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111083065
3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 41106040
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
CID 60556517
2,2,2-trifluoroethyl N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamate
CID 94033220
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-phenyloxolane-2-carboxamide
CID 3453643
2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7263699
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide (CID 4878412) is N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCO1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide?
The InChIKey is QBCUYSWPTCXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)19-9-5-3-8(4-6-9)16-11(17)10-2-1-7-18-10/h3-6,10H,1-2,7H2,(H,16,17).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide?
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4878412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).