3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole

C10H8F3NO — CID 171919107

IUPAC3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole
SMILESCc1ccc2onc(C)c2c1C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-5-3-4-7-8(6(2)14-15-7)9(5)10(11,12)13/h3-4H,1-2H3
InChIKeyHDDVVRVICJANMZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP3.46
Rot. Bonds

About 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole

3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole (PubChem CID 171919107) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole
PubChem CID171919107
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole
SMILESCc1ccc2onc(C)c2c1C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-5-3-4-7-8(6(2)14-15-7)9(5)10(11,12)13/h3-4H,1-2H3
InChIKeyHDDVVRVICJANMZ-UHFFFAOYSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole?
The IUPAC name of 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole (CID 171919107) is 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole is Cc1ccc2onc(C)c2c1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole?
The InChIKey is HDDVVRVICJANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-5-3-4-7-8(6(2)14-15-7)9(5)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole?
3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole has a molecular weight of 215.17 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(trifluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 171919107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).