4-[2-(trifluoromethoxy)anilino]oxolan-3-ol

C11H12F3NO3 — CID 60897536

IUPAC4-[2-(trifluoromethoxy)anilino]oxolan-3-ol
SMILESOC1COCC1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)18-10-4-2-1-3-7(10)15-8-5-17-6-9(8)16/h1-4,8-9,15-16H,5-6H2
InChIKeyPOIHRXIBXYEGDG-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.76
Rot. Bonds3

About 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol

4-[2-(trifluoromethoxy)anilino]oxolan-3-ol (PubChem CID 60897536) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)anilino]oxolan-3-ol
PubChem CID60897536
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name4-[2-(trifluoromethoxy)anilino]oxolan-3-ol
SMILESOC1COCC1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)18-10-4-2-1-3-7(10)15-8-5-17-6-9(8)16/h1-4,8-9,15-16H,5-6H2
InChIKeyPOIHRXIBXYEGDG-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol?
The IUPAC name of 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol (CID 60897536) is 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol.
What is the SMILES notation for 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol?
The canonical SMILES for 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol is OC1COCC1Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol?
The InChIKey is POIHRXIBXYEGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)18-10-4-2-1-3-7(10)15-8-5-17-6-9(8)16/h1-4,8-9,15-16H,5-6H2.
What are the key properties of 4-[2-(trifluoromethoxy)anilino]oxolan-3-ol?
4-[2-(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-[2-(trifluoromethoxy)anilino]oxolan-3-ol is sourced from PubChem (CID 60897536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).