2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C12H12F3NO2 — CID 84575366

IUPAC2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1COC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-1-3-10(4-2-9)16-11(17)5-8-6-18-7-8/h1-4,8H,5-7H2,(H,16,17)
InChIKeyJDCWBDVIWCHKGS-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.68
Rot. Bonds3

About 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 84575366) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID84575366
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1COC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-1-3-10(4-2-9)16-11(17)5-8-6-18-7-8/h1-4,8H,5-7H2,(H,16,17)
InChIKeyJDCWBDVIWCHKGS-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17463040
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 166420285
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 84575366) is 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CC1COC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JDCWBDVIWCHKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-1-3-10(4-2-9)16-11(17)5-8-6-18-7-8/h1-4,8H,5-7H2,(H,16,17).
What are the key properties of 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 259.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 84575366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).