(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone

C12H12F3NO2 — CID 116587577

IUPAC(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNC1COCC1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-7(2-4-8)11(17)9-5-18-6-10(9)16/h1-4,9-10H,5-6,16H2
InChIKeyXCLMYVKUVDCRDU-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.86
Rot. Bonds2

About (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 116587577) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID116587577
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNC1COCC1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-7(2-4-8)11(17)9-5-18-6-10(9)16/h1-4,9-10H,5-6,16H2
InChIKeyXCLMYVKUVDCRDU-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid
CID 69189577
[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 57186970
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 65406837
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 116558577
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 116587363
(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone
CID 116587384
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
[(2R,3S)-3-methyl-3-phenyloxiran-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 135069666
2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 84575366

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 116587577) is (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone is NC1COCC1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XCLMYVKUVDCRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-7(2-4-8)11(17)9-5-18-6-10(9)16/h1-4,9-10H,5-6,16H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 259.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116587577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).