2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole

C14H10F3NO — CID 15261422

IUPAC2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole
SMILESFC(F)(F)C1(c2ccccc2)Nc2ccccc2O1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-13/h1-9,18H
InChIKeyLSAKMEBSDGPJHK-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.91
Rot. Bonds1

About 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole

2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole (PubChem CID 15261422) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole
PubChem CID15261422
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole
SMILESFC(F)(F)C1(c2ccccc2)Nc2ccccc2O1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-13/h1-9,18H
InChIKeyLSAKMEBSDGPJHK-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole?
The IUPAC name of 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole (CID 15261422) is 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole is FC(F)(F)C1(c2ccccc2)Nc2ccccc2O1.
What is the InChIKey of 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole?
The InChIKey is LSAKMEBSDGPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-13/h1-9,18H.
What are the key properties of 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole?
2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole has a molecular weight of 265.23 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(trifluoromethyl)-3H-1,3-benzoxazole is sourced from PubChem (CID 15261422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).