1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine

C18H12FNO — CID 172754580

IUPAC1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine
SMILESFc1ccc(-c2cccc3c2-c2ccccc2NO3)cc1
InChIInChI=1S/C18H12FNO/c19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-21-17/h1-11,20H
InChIKeyKVMYIGYRRFNBTI-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.88
Rot. Bonds1

About 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine

1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine (PubChem CID 172754580) has the molecular formula C18H12FNO and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine
PubChem CID172754580
Molecular FormulaC18H12FNO
Molecular Weight277.30 g/mol
Exact Mass277.09
IUPAC Name1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine
SMILESFc1ccc(-c2cccc3c2-c2ccccc2NO3)cc1
InChIInChI=1S/C18H12FNO/c19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-21-17/h1-11,20H
InChIKeyKVMYIGYRRFNBTI-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine?
The IUPAC name of 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine (CID 172754580) is 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine.
What is the SMILES notation for 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine?
The canonical SMILES for 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine is Fc1ccc(-c2cccc3c2-c2ccccc2NO3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine?
The InChIKey is KVMYIGYRRFNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO/c19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-21-17/h1-11,20H.
What are the key properties of 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine?
1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine has a molecular weight of 277.30 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine is sourced from PubChem (CID 172754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).