7-bromo-2-(difluoromethyl)-1,3-benzoxazole

C8H4BrF2NO — CID 131119022

IUPAC7-bromo-2-(difluoromethyl)-1,3-benzoxazole
SMILESFC(F)c1nc2cccc(Br)c2o1
InChIInChI=1S/C8H4BrF2NO/c9-4-2-1-3-5-6(4)13-8(12-5)7(10)11/h1-3,7H
InChIKeyJYLQTPRRPNLFEI-UHFFFAOYSA-N
MW248.03 g/mol
LogP3.53
Rot. Bonds1

About 7-bromo-2-(difluoromethyl)-1,3-benzoxazole

7-bromo-2-(difluoromethyl)-1,3-benzoxazole (PubChem CID 131119022) has the molecular formula C8H4BrF2NO and a molecular weight of 248.03 g/mol. Its IUPAC name is 7-bromo-2-(difluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(difluoromethyl)-1,3-benzoxazole
PubChem CID131119022
Molecular FormulaC8H4BrF2NO
Molecular Weight248.03 g/mol
Exact Mass246.94
IUPAC Name7-bromo-2-(difluoromethyl)-1,3-benzoxazole
SMILESFC(F)c1nc2cccc(Br)c2o1
InChIInChI=1S/C8H4BrF2NO/c9-4-2-1-3-5-6(4)13-8(12-5)7(10)11/h1-3,7H
InChIKeyJYLQTPRRPNLFEI-UHFFFAOYSA-N
XLogP3.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.03
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(7-bromo-1,3-benzoxazol-2-yl)acetonitrile
CID 130132782
7-bromo-2-fluoro-1,3-benzoxazole
CID 131072299
2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
CID 83866963
3-(7-bromo-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 103500360
4-(7-bromo-1,3-benzoxazol-2-yl)pentan-1-amine
CID 104685987
7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
CID 135415997
7-bromo-1,3-benzoxazole-2-sulfonyl chloride
CID 130925383
2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
CID 81494751
potassium 7-bromo-1,3-benzoxazole-2-carboxylate
CID 162763817
3-(7-bromo-1,3-benzoxazol-2-yl)aniline
CID 79017519
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(difluoromethyl)-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(difluoromethyl)-1,3-benzoxazole (CID 131119022) is 7-bromo-2-(difluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(difluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(difluoromethyl)-1,3-benzoxazole is FC(F)c1nc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-(difluoromethyl)-1,3-benzoxazole?
The InChIKey is JYLQTPRRPNLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2NO/c9-4-2-1-3-5-6(4)13-8(12-5)7(10)11/h1-3,7H.
What are the key properties of 7-bromo-2-(difluoromethyl)-1,3-benzoxazole?
7-bromo-2-(difluoromethyl)-1,3-benzoxazole has a molecular weight of 248.03 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(difluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 131119022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).