2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one

C15H12FNO2 — CID 23821936

IUPAC2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one
SMILESCC1(c2ccc(F)cc2)NC(=O)c2ccccc2O1
InChIInChI=1S/C15H12FNO2/c1-15(10-6-8-11(16)9-7-10)17-14(18)12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,17,18)
InChIKeyYMPUHAXJCDTCRP-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.82
Rot. Bonds1

About 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one

2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one (PubChem CID 23821936) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one
PubChem CID23821936
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one
SMILESCC1(c2ccc(F)cc2)NC(=O)c2ccccc2O1
InChIInChI=1S/C15H12FNO2/c1-15(10-6-8-11(16)9-7-10)17-14(18)12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,17,18)
InChIKeyYMPUHAXJCDTCRP-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one (CID 23821936) is 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one is CC1(c2ccc(F)cc2)NC(=O)c2ccccc2O1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one?
The InChIKey is YMPUHAXJCDTCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-15(10-6-8-11(16)9-7-10)17-14(18)12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one?
2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one has a molecular weight of 257.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one is sourced from PubChem (CID 23821936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).