2-(2,3,4-trifluorophenyl)-1,3-benzoxazole

C13H6F3NO — CID 22625179

IUPAC2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2nc3ccccc3o2)c(F)c1F
InChIInChI=1S/C13H6F3NO/c14-8-6-5-7(11(15)12(8)16)13-17-9-3-1-2-4-10(9)18-13/h1-6H
InChIKeyHEYVXRYVTRHXSL-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.91
Rot. Bonds1

About 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole

2-(2,3,4-trifluorophenyl)-1,3-benzoxazole (PubChem CID 22625179) has the molecular formula C13H6F3NO and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
PubChem CID22625179
Molecular FormulaC13H6F3NO
Molecular Weight249.19 g/mol
Exact Mass249.04
IUPAC Name2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2nc3ccccc3o2)c(F)c1F
InChIInChI=1S/C13H6F3NO/c14-8-6-5-7(11(15)12(8)16)13-17-9-3-1-2-4-10(9)18-13/h1-6H
InChIKeyHEYVXRYVTRHXSL-UHFFFAOYSA-N
XLogP3.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,4,5-trifluorophenyl)-1,3-benzoxazole
CID 139662329
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
4-(1,3-benzoxazol-2-yl)-2,3,5,6-tetrafluoroaniline
CID 11129738
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc
CID 155109070
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
CID 21413849
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole (CID 22625179) is 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole is Fc1ccc(-c2nc3ccccc3o2)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole?
The InChIKey is HEYVXRYVTRHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3NO/c14-8-6-5-7(11(15)12(8)16)13-17-9-3-1-2-4-10(9)18-13/h1-6H.
What are the key properties of 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole?
2-(2,3,4-trifluorophenyl)-1,3-benzoxazole has a molecular weight of 249.19 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 22625179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).