2-chloro-6-fluoro-1,3-benzoxazole

C7H3ClFNO — CID 14748832

IUPAC2-chloro-6-fluoro-1,3-benzoxazole
SMILESFc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C7H3ClFNO/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKeySABSNTHFVVOJMX-UHFFFAOYSA-N
MW171.56 g/mol
LogP2.62
Rot. Bonds

About 2-chloro-6-fluoro-1,3-benzoxazole

2-chloro-6-fluoro-1,3-benzoxazole (PubChem CID 14748832) has the molecular formula C7H3ClFNO and a molecular weight of 171.56 g/mol. Its IUPAC name is 2-chloro-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-chloro-6-fluoro-1,3-benzoxazole
PubChem CID14748832
Molecular FormulaC7H3ClFNO
Molecular Weight171.56 g/mol
Exact Mass170.99
IUPAC Name2-chloro-6-fluoro-1,3-benzoxazole
SMILESFc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C7H3ClFNO/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKeySABSNTHFVVOJMX-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 2-chloro-6-fluoro-1,3-benzoxazole?
The IUPAC name of 2-chloro-6-fluoro-1,3-benzoxazole (CID 14748832) is 2-chloro-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-chloro-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-chloro-6-fluoro-1,3-benzoxazole is Fc1ccc2nc(Cl)oc2c1.
What is the InChIKey of 2-chloro-6-fluoro-1,3-benzoxazole?
The InChIKey is SABSNTHFVVOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H.
What are the key properties of 2-chloro-6-fluoro-1,3-benzoxazole?
2-chloro-6-fluoro-1,3-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 2-chloro-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 14748832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).