1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine

C24H15F2NO — CID 70682809

IUPAC1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine
SMILESFc1ccc(C2=NC(c3ccc(F)cc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C24H15F2NO/c25-18-10-5-16(6-11-18)23-22-20-4-2-1-3-15(20)9-14-21(22)28-24(27-23)17-7-12-19(26)13-8-17/h1-14,23H
InChIKeyIAUWNPVVNLBOSO-UHFFFAOYSA-N
MW371.39 g/mol
LogP6.05
Rot. Bonds2

About 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine

1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine (PubChem CID 70682809) has the molecular formula C24H15F2NO and a molecular weight of 371.39 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine
PubChem CID70682809
Molecular FormulaC24H15F2NO
Molecular Weight371.39 g/mol
Exact Mass371.11
IUPAC Name1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine
SMILESFc1ccc(C2=NC(c3ccc(F)cc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C24H15F2NO/c25-18-10-5-16(6-11-18)23-22-20-4-2-1-3-15(20)9-14-21(22)28-24(27-23)17-7-12-19(26)13-8-17/h1-14,23H
InChIKeyIAUWNPVVNLBOSO-UHFFFAOYSA-N
XLogP6.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine?
The IUPAC name of 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine (CID 70682809) is 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine is Fc1ccc(C2=NC(c3ccc(F)cc3)c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine?
The InChIKey is IAUWNPVVNLBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2NO/c25-18-10-5-16(6-11-18)23-22-20-4-2-1-3-15(20)9-14-21(22)28-24(27-23)17-7-12-19(26)13-8-17/h1-14,23H.
What are the key properties of 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine?
1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine has a molecular weight of 371.39 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-1H-benzo[f][1,3]benzoxazine is sourced from PubChem (CID 70682809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).