N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C12H12F3NO2 — CID 3287298

IUPACN-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-4-9(7-8)16-11(17)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H,16,17)
InChIKeyGQTFVOFULFGXKU-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.82
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 3287298) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID3287298
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-4-9(7-8)16-11(17)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H,16,17)
InChIKeyGQTFVOFULFGXKU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 3287298) is N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCCO1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is GQTFVOFULFGXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-4-9(7-8)16-11(17)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H,16,17).
What are the key properties of N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[3-(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 N-[3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3287298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).