4-[3-(trifluoromethoxy)anilino]oxolan-3-ol

C11H12F3NO3 — CID 60899392

IUPAC4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
SMILESOC1COCC1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)18-8-3-1-2-7(4-8)15-9-5-17-6-10(9)16/h1-4,9-10,15-16H,5-6H2
InChIKeyQLGDGXKOHPZYRG-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.76
Rot. Bonds3

About 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol

4-[3-(trifluoromethoxy)anilino]oxolan-3-ol (PubChem CID 60899392) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
PubChem CID60899392
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
SMILESOC1COCC1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)18-8-3-1-2-7(4-8)15-9-5-17-6-10(9)16/h1-4,9-10,15-16H,5-6H2
InChIKeyQLGDGXKOHPZYRG-UHFFFAOYSA-N
XLogP1.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylanilino)oxolan-3-ol
CID 60902246
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
(3S,4R)-4-anilinooxolan-3-ol
CID 93383619
tert-butyl (3S,4S)-3-hydroxy-4-[3-(trifluoromethoxy)anilino]pyrrolidine-1-carboxylate
CID 90406004
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 90404822
(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 162593417
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol?
The IUPAC name of 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol (CID 60899392) is 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol.
What is the SMILES notation for 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol?
The canonical SMILES for 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol is OC1COCC1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol?
The InChIKey is QLGDGXKOHPZYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)18-8-3-1-2-7(4-8)15-9-5-17-6-10(9)16/h1-4,9-10,15-16H,5-6H2.
What are the key properties of 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol?
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol has a molecular weight of 263.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethoxy)anilino]oxolan-3-ol is sourced from PubChem (CID 60899392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).