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

C7H3ClFNO — CID 91514381

IUPAC5-chloro-6-fluoro-1,3-benzoxazole
SMILESFc1cc2ocnc2cc1Cl
InChIInChI=1S/C7H3ClFNO/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H
InChIKeyJTIRLLCPFMFDRO-UHFFFAOYSA-N
MW171.56 g/mol
LogP2.62
Rot. Bonds

About 5-chloro-6-fluoro-1,3-benzoxazole

5-chloro-6-fluoro-1,3-benzoxazole (PubChem CID 91514381) has the molecular formula C7H3ClFNO and a molecular weight of 171.56 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-1,3-benzoxazole
PubChem CID91514381
Molecular FormulaC7H3ClFNO
Molecular Weight171.56 g/mol
Exact Mass170.99
IUPAC Name5-chloro-6-fluoro-1,3-benzoxazole
SMILESFc1cc2ocnc2cc1Cl
InChIInChI=1S/C7H3ClFNO/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H
InChIKeyJTIRLLCPFMFDRO-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 5-chloro-6-fluoro-1,3-benzoxazole?
The IUPAC name of 5-chloro-6-fluoro-1,3-benzoxazole (CID 91514381) is 5-chloro-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 5-chloro-6-fluoro-1,3-benzoxazole is Fc1cc2ocnc2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-1,3-benzoxazole?
The InChIKey is JTIRLLCPFMFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H.
What are the key properties of 5-chloro-6-fluoro-1,3-benzoxazole?
5-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 5-chloro-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 91514381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).