2-(3,5-difluorophenyl)-4H-3,1-benzoxazine

C14H9F2NO — CID 156769418

IUPAC2-(3,5-difluorophenyl)-4H-3,1-benzoxazine
SMILESFc1cc(F)cc(C2=Nc3ccccc3CO2)c1
InChIInChI=1S/C14H9F2NO/c15-11-5-10(6-12(16)7-11)14-17-13-4-2-1-3-9(13)8-18-14/h1-7H,8H2
InChIKeyQGPZBTYUKRXMFG-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.57
Rot. Bonds1

About 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine

2-(3,5-difluorophenyl)-4H-3,1-benzoxazine (PubChem CID 156769418) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4H-3,1-benzoxazine
PubChem CID156769418
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-(3,5-difluorophenyl)-4H-3,1-benzoxazine
SMILESFc1cc(F)cc(C2=Nc3ccccc3CO2)c1
InChIInChI=1S/C14H9F2NO/c15-11-5-10(6-12(16)7-11)14-17-13-4-2-1-3-9(13)8-18-14/h1-7H,8H2
InChIKeyQGPZBTYUKRXMFG-UHFFFAOYSA-N
XLogP3.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine?
The IUPAC name of 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine (CID 156769418) is 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine is Fc1cc(F)cc(C2=Nc3ccccc3CO2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine?
The InChIKey is QGPZBTYUKRXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c15-11-5-10(6-12(16)7-11)14-17-13-4-2-1-3-9(13)8-18-14/h1-7H,8H2.
What are the key properties of 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine?
2-(3,5-difluorophenyl)-4H-3,1-benzoxazine has a molecular weight of 245.23 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 156769418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).