3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine

C14H9ClFNO — CID 46235829

IUPAC3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C14H9ClFNO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2
InChIKeyCZLUOISQBTWRED-UHFFFAOYSA-N
MW261.68 g/mol
LogP3.99
Rot. Bonds1

About 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine

3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine (PubChem CID 46235829) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine
PubChem CID46235829
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C14H9ClFNO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2
InChIKeyCZLUOISQBTWRED-UHFFFAOYSA-N
XLogP3.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine (CID 46235829) is 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine is Fc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2.
What is the InChIKey of 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine?
The InChIKey is CZLUOISQBTWRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2.
What are the key properties of 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine?
3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine has a molecular weight of 261.68 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-fluoro-2H-1,4-benzoxazine is sourced from PubChem (CID 46235829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).