3-chloro-7-fluoro-1,2-benzoxazole

C7H3ClFNO — CID 70700314

IUPAC3-chloro-7-fluoro-1,2-benzoxazole
SMILESFc1cccc2c(Cl)noc12
InChIInChI=1S/C7H3ClFNO/c8-7-4-2-1-3-5(9)6(4)11-10-7/h1-3H
InChIKeySFPXHGXIKAOVTL-UHFFFAOYSA-N
MW171.56 g/mol
LogP2.62
Rot. Bonds

About 3-chloro-7-fluoro-1,2-benzoxazole

3-chloro-7-fluoro-1,2-benzoxazole (PubChem CID 70700314) has the molecular formula C7H3ClFNO and a molecular weight of 171.56 g/mol. Its IUPAC name is 3-chloro-7-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-chloro-7-fluoro-1,2-benzoxazole
PubChem CID70700314
Molecular FormulaC7H3ClFNO
Molecular Weight171.56 g/mol
Exact Mass170.99
IUPAC Name3-chloro-7-fluoro-1,2-benzoxazole
SMILESFc1cccc2c(Cl)noc12
InChIInChI=1S/C7H3ClFNO/c8-7-4-2-1-3-5(9)6(4)11-10-7/h1-3H
InChIKeySFPXHGXIKAOVTL-UHFFFAOYSA-N
XLogP2.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoro-1,2-benzoxazole?
The IUPAC name of 3-chloro-7-fluoro-1,2-benzoxazole (CID 70700314) is 3-chloro-7-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-chloro-7-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-chloro-7-fluoro-1,2-benzoxazole is Fc1cccc2c(Cl)noc12.
What is the InChIKey of 3-chloro-7-fluoro-1,2-benzoxazole?
The InChIKey is SFPXHGXIKAOVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO/c8-7-4-2-1-3-5(9)6(4)11-10-7/h1-3H.
What are the key properties of 3-chloro-7-fluoro-1,2-benzoxazole?
3-chloro-7-fluoro-1,2-benzoxazole has a molecular weight of 171.56 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-1,2-benzoxazole is sourced from PubChem (CID 70700314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).