2-(4-fluorophenyl)-4H-3,1-benzoxazine

C14H10FNO — CID 150921476

IUPAC2-(4-fluorophenyl)-4H-3,1-benzoxazine
SMILESFc1ccc(C2=Nc3ccccc3CO2)cc1
InChIInChI=1S/C14H10FNO/c15-12-7-5-10(6-8-12)14-16-13-4-2-1-3-11(13)9-17-14/h1-8H,9H2
InChIKeyLECRODBPWWEHPE-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.43
Rot. Bonds1

About 2-(4-fluorophenyl)-4H-3,1-benzoxazine

2-(4-fluorophenyl)-4H-3,1-benzoxazine (PubChem CID 150921476) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4H-3,1-benzoxazine
PubChem CID150921476
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name2-(4-fluorophenyl)-4H-3,1-benzoxazine
SMILESFc1ccc(C2=Nc3ccccc3CO2)cc1
InChIInChI=1S/C14H10FNO/c15-12-7-5-10(6-8-12)14-16-13-4-2-1-3-11(13)9-17-14/h1-8H,9H2
InChIKeyLECRODBPWWEHPE-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4H-3,1-benzoxazine?
The IUPAC name of 2-(4-fluorophenyl)-4H-3,1-benzoxazine (CID 150921476) is 2-(4-fluorophenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 2-(4-fluorophenyl)-4H-3,1-benzoxazine is Fc1ccc(C2=Nc3ccccc3CO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4H-3,1-benzoxazine?
The InChIKey is LECRODBPWWEHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-12-7-5-10(6-8-12)14-16-13-4-2-1-3-11(13)9-17-14/h1-8H,9H2.
What are the key properties of 2-(4-fluorophenyl)-4H-3,1-benzoxazine?
2-(4-fluorophenyl)-4H-3,1-benzoxazine has a molecular weight of 227.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 150921476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).