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

C15H12FNO — CID 45271769

IUPAC6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine
SMILESCc1ccc(C2=Nc3cc(F)ccc3OC2)cc1
InChIInChI=1S/C15H12FNO/c1-10-2-4-11(5-3-10)14-9-18-15-7-6-12(16)8-13(15)17-14/h2-8H,9H2,1H3
InChIKeyYRIBTDQQZHHWJH-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.65
Rot. Bonds1

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

6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine (PubChem CID 45271769) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine
PubChem CID45271769
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine
SMILESCc1ccc(C2=Nc3cc(F)ccc3OC2)cc1
InChIInChI=1S/C15H12FNO/c1-10-2-4-11(5-3-10)14-9-18-15-7-6-12(16)8-13(15)17-14/h2-8H,9H2,1H3
InChIKeyYRIBTDQQZHHWJH-UHFFFAOYSA-N
XLogP3.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine?
The IUPAC name of 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine (CID 45271769) is 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine is Cc1ccc(C2=Nc3cc(F)ccc3OC2)cc1.
What is the InChIKey of 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine?
The InChIKey is YRIBTDQQZHHWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-2-4-11(5-3-10)14-9-18-15-7-6-12(16)8-13(15)17-14/h2-8H,9H2,1H3.
What are the key properties of 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine?
6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine has a molecular weight of 241.27 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 45271769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).