2-(trifluoromethyl)-1,3-benzoxazol-7-ol

C8H4F3NO2 — CID 84671213

IUPAC2-(trifluoromethyl)-1,3-benzoxazol-7-ol
SMILESOc1cccc2nc(C(F)(F)F)oc12
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h1-3,13H
InChIKeyZXZITBFCPIQOPS-UHFFFAOYSA-N
MW203.12 g/mol
LogP2.55
Rot. Bonds

About 2-(trifluoromethyl)-1,3-benzoxazol-7-ol

2-(trifluoromethyl)-1,3-benzoxazol-7-ol (PubChem CID 84671213) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-benzoxazol-7-ol
PubChem CID84671213
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name2-(trifluoromethyl)-1,3-benzoxazol-7-ol
SMILESOc1cccc2nc(C(F)(F)F)oc12
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h1-3,13H
InChIKeyZXZITBFCPIQOPS-UHFFFAOYSA-N
XLogP2.55
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-1,3-benzoxazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1,3-benzoxazol-7-ol
CID 18967117
2-(hydroxymethyl)-1,3-benzoxazol-7-ol
CID 130894821
1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone
CID 119005497
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
2-(chloromethyl)-7-(trifluoromethyl)-1,3-benzoxazole
CID 118848522
2-tert-butyl-7-chloro-1,3-benzoxazole
CID 119084711
2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid
CID 68637450
2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
CID 81494751
6-fluoro-2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337654
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 135058168
2-(trifluoromethyl)pyrido[2,3-d][1,3]oxazin-4-one
CID 166638594
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-benzoxazol-7-ol?
The IUPAC name of 2-(trifluoromethyl)-1,3-benzoxazol-7-ol (CID 84671213) is 2-(trifluoromethyl)-1,3-benzoxazol-7-ol.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-benzoxazol-7-ol?
The canonical SMILES for 2-(trifluoromethyl)-1,3-benzoxazol-7-ol is Oc1cccc2nc(C(F)(F)F)oc12.
What is the InChIKey of 2-(trifluoromethyl)-1,3-benzoxazol-7-ol?
The InChIKey is ZXZITBFCPIQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h1-3,13H.
What are the key properties of 2-(trifluoromethyl)-1,3-benzoxazol-7-ol?
2-(trifluoromethyl)-1,3-benzoxazol-7-ol has a molecular weight of 203.12 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-benzoxazol-7-ol is sourced from PubChem (CID 84671213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).