7-fluoro-3-methyl-1,2-benzoxazol-6-amine

C8H7FN2O — CID 117110148

IUPAC7-fluoro-3-methyl-1,2-benzoxazol-6-amine
SMILESCc1noc2c(F)c(N)ccc12
InChIInChI=1S/C8H7FN2O/c1-4-5-2-3-6(10)7(9)8(5)12-11-4/h2-3H,10H2,1H3
InChIKeyCCXHVQCOKLUBSL-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.86
Rot. Bonds

About 7-fluoro-3-methyl-1,2-benzoxazol-6-amine

7-fluoro-3-methyl-1,2-benzoxazol-6-amine (PubChem CID 117110148) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name7-fluoro-3-methyl-1,2-benzoxazol-6-amine
PubChem CID117110148
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name7-fluoro-3-methyl-1,2-benzoxazol-6-amine
SMILESCc1noc2c(F)c(N)ccc12
InChIInChI=1S/C8H7FN2O/c1-4-5-2-3-6(10)7(9)8(5)12-11-4/h2-3H,10H2,1H3
InChIKeyCCXHVQCOKLUBSL-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1,2-benzoxazol-6-amine?
The IUPAC name of 7-fluoro-3-methyl-1,2-benzoxazol-6-amine (CID 117110148) is 7-fluoro-3-methyl-1,2-benzoxazol-6-amine.
What is the SMILES notation for 7-fluoro-3-methyl-1,2-benzoxazol-6-amine?
The canonical SMILES for 7-fluoro-3-methyl-1,2-benzoxazol-6-amine is Cc1noc2c(F)c(N)ccc12.
What is the InChIKey of 7-fluoro-3-methyl-1,2-benzoxazol-6-amine?
The InChIKey is CCXHVQCOKLUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-4-5-2-3-6(10)7(9)8(5)12-11-4/h2-3H,10H2,1H3.
What are the key properties of 7-fluoro-3-methyl-1,2-benzoxazol-6-amine?
7-fluoro-3-methyl-1,2-benzoxazol-6-amine has a molecular weight of 166.15 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1,2-benzoxazol-6-amine is sourced from PubChem (CID 117110148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).