5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one

C14H7ClFNO2 — CID 46838142

IUPAC5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2cccc(Cl)c12
InChIInChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
InChIKeyVOZKZFIIXMXHME-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.65
Rot. Bonds1

About 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one

5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one (PubChem CID 46838142) has the molecular formula C14H7ClFNO2 and a molecular weight of 275.67 g/mol. Its IUPAC name is 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
PubChem CID46838142
Molecular FormulaC14H7ClFNO2
Molecular Weight275.67 g/mol
Exact Mass275.01
IUPAC Name5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2cccc(Cl)c12
InChIInChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
InChIKeyVOZKZFIIXMXHME-UHFFFAOYSA-N
XLogP3.65
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one (CID 46838142) is 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2F)nc2cccc(Cl)c12.
What is the InChIKey of 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is VOZKZFIIXMXHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H.
What are the key properties of 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one has a molecular weight of 275.67 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluorophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 46838142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).