4-(trifluoromethyl)-1,2-benzoxazol-3-amine

C8H5F3N2O — CID 10774457

IUPAC4-(trifluoromethyl)-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(C(F)(F)F)c12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-2-1-3-5-6(4)7(12)13-14-5/h1-3H,(H2,12,13)
InChIKeyVVTGSZRVMRVIEH-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.43
Rot. Bonds

About 4-(trifluoromethyl)-1,2-benzoxazol-3-amine

4-(trifluoromethyl)-1,2-benzoxazol-3-amine (PubChem CID 10774457) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-benzoxazol-3-amine
PubChem CID10774457
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name4-(trifluoromethyl)-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(C(F)(F)F)c12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-2-1-3-5-6(4)7(12)13-14-5/h1-3H,(H2,12,13)
InChIKeyVVTGSZRVMRVIEH-UHFFFAOYSA-N
XLogP2.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The IUPAC name of 4-(trifluoromethyl)-1,2-benzoxazol-3-amine (CID 10774457) is 4-(trifluoromethyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-(trifluoromethyl)-1,2-benzoxazol-3-amine is Nc1noc2cccc(C(F)(F)F)c12.
What is the InChIKey of 4-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The InChIKey is VVTGSZRVMRVIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)4-2-1-3-5-6(4)7(12)13-14-5/h1-3H,(H2,12,13).
What are the key properties of 4-(trifluoromethyl)-1,2-benzoxazol-3-amine?
4-(trifluoromethyl)-1,2-benzoxazol-3-amine has a molecular weight of 202.14 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 10774457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).