2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole

C14H8F3NO — CID 58230863

IUPAC2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H
InChIKeyXOYPXZULFUOGIX-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.51
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole

2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole (PubChem CID 58230863) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
PubChem CID58230863
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H
InChIKeyXOYPXZULFUOGIX-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole (CID 58230863) is 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole is FC(F)(F)c1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The InChIKey is XOYPXZULFUOGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole?
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole has a molecular weight of 263.22 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 58230863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).