4-methyl-2-(trifluoromethyl)-1,3-benzoxazole

C9H6F3NO — CID 13278515

IUPAC4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1cccc2oc(C(F)(F)F)nc12
InChIInChI=1S/C9H6F3NO/c1-5-3-2-4-6-7(5)13-8(14-6)9(10,11)12/h2-4H,1H3
InChIKeyXCXBMCHDVTWGLD-UHFFFAOYSA-N
MW201.15 g/mol
LogP3.16
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole

4-methyl-2-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 13278515) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
PubChem CID13278515
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1cccc2oc(C(F)(F)F)nc12
InChIInChI=1S/C9H6F3NO/c1-5-3-2-4-6-7(5)13-8(14-6)9(10,11)12/h2-4H,1H3
InChIKeyXCXBMCHDVTWGLD-UHFFFAOYSA-N
XLogP3.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole (CID 13278515) is 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole is Cc1cccc2oc(C(F)(F)F)nc12.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is XCXBMCHDVTWGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c1-5-3-2-4-6-7(5)13-8(14-6)9(10,11)12/h2-4H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole?
4-methyl-2-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 201.15 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 13278515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).