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

C8H5F3N2O — CID 10774456

IUPAC7-(trifluoromethyl)-1,2-benzoxazol-3-amine
SMILESNc1noc2c(C(F)(F)F)cccc12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)5-3-1-2-4-6(5)14-13-7(4)12/h1-3H,(H2,12,13)
InChIKeyPIZYYENSQAOYKU-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.43
Rot. Bonds

About 7-(trifluoromethyl)-1,2-benzoxazol-3-amine

7-(trifluoromethyl)-1,2-benzoxazol-3-amine (PubChem CID 10774456) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2-benzoxazol-3-amine
PubChem CID10774456
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name7-(trifluoromethyl)-1,2-benzoxazol-3-amine
SMILESNc1noc2c(C(F)(F)F)cccc12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)5-3-1-2-4-6(5)14-13-7(4)12/h1-3H,(H2,12,13)
InChIKeyPIZYYENSQAOYKU-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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Related Compounds

3-Methyl-1,2-benzoxazole
CID 4068104
1,2-Benzoxazol-3-amine
CID 2779749
4-Bromo-1,2-benzoxazol-3-amine
CID 45588471
1,2-Benzisoxazole-3-acetamidoxime hydrochloride
CID 12272670
6-Chloro-1,2-benzoxazol-3-amine
CID 10855900
4-Iodo-1,2-benzoxazol-3-amine
CID 24808326
3-Amino-1,2-benzisoxazole-6-methanamine
CID 22064731
5-(Trifluoromethyl)-1,2-benzoxazol-3-amine
CID 43811099
4-(3-Methylphenyl)-1,2-benzoxazol-3-amine
CID 49830766
6-(Trifluoromethyl)-1,2-benzoxazol-3-amine
CID 10608155
6-Bromo-1,2-benzoxazol-3-amine
CID 10608621
4-Fluoro-1,2-benzoxazol-3-amine
CID 16637457

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The IUPAC name of 7-(trifluoromethyl)-1,2-benzoxazol-3-amine (CID 10774456) is 7-(trifluoromethyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-(trifluoromethyl)-1,2-benzoxazol-3-amine is Nc1noc2c(C(F)(F)F)cccc12.
What is the InChIKey of 7-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The InChIKey is PIZYYENSQAOYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)5-3-1-2-4-6(5)14-13-7(4)12/h1-3H,(H2,12,13).
What are the key properties of 7-(trifluoromethyl)-1,2-benzoxazol-3-amine?
7-(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 7-(trifluoromethyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 10774456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).