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

C8H6F2N2O — CID 84659396

IUPAC3-(difluoromethyl)-1,2-benzoxazol-7-amine
SMILESNc1cccc2c(C(F)F)noc12
InChIInChI=1S/C8H6F2N2O/c9-8(10)6-4-2-1-3-5(11)7(4)13-12-6/h1-3,8H,11H2
InChIKeyHLFGWYJEWVFPNS-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.35
Rot. Bonds1

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

3-(difluoromethyl)-1,2-benzoxazol-7-amine (PubChem CID 84659396) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2-benzoxazol-7-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2-benzoxazol-7-amine
PubChem CID84659396
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3-(difluoromethyl)-1,2-benzoxazol-7-amine
SMILESNc1cccc2c(C(F)F)noc12
InChIInChI=1S/C8H6F2N2O/c9-8(10)6-4-2-1-3-5(11)7(4)13-12-6/h1-3,8H,11H2
InChIKeyHLFGWYJEWVFPNS-UHFFFAOYSA-N
XLogP2.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-1,2-benzoxazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-1,2-benzoxazol-7-amine
CID 126502324
4-(7-amino-1,2-benzoxazol-3-yl)phenol
CID 136699603
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
3-(difluoromethyl)-2H-indazol-7-amine
CID 84658857
5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine
CID 144947290
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 170566578
2-(1-fluoroethyl)-1-benzofuran-4-amine
CID 84656832
1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
CID 105487507
6-(difluoromethyl)pyridine-2,5-diamine
CID 119004812
3-chloro-7-fluoro-1,2-benzoxazole
CID 70700314
6,24-diamino-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,19(27),20(25),21,23-dodecaen-15-one
CID 163616771
5-fluoro-3-methyl-1,2-benzoxazol-7-amine
CID 84652305

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2-benzoxazol-7-amine?
The IUPAC name of 3-(difluoromethyl)-1,2-benzoxazol-7-amine (CID 84659396) is 3-(difluoromethyl)-1,2-benzoxazol-7-amine.
What is the SMILES notation for 3-(difluoromethyl)-1,2-benzoxazol-7-amine?
The canonical SMILES for 3-(difluoromethyl)-1,2-benzoxazol-7-amine is Nc1cccc2c(C(F)F)noc12.
What is the InChIKey of 3-(difluoromethyl)-1,2-benzoxazol-7-amine?
The InChIKey is HLFGWYJEWVFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)6-4-2-1-3-5(11)7(4)13-12-6/h1-3,8H,11H2.
What are the key properties of 3-(difluoromethyl)-1,2-benzoxazol-7-amine?
3-(difluoromethyl)-1,2-benzoxazol-7-amine has a molecular weight of 184.15 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2-benzoxazol-7-amine is sourced from PubChem (CID 84659396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).