4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one

C14H18FNO2 — CID 59525248

IUPAC4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(C)Oc2c(C)c(C)c(F)c(C)c21
InChIInChI=1S/C14H18FNO2/c1-6-16-12-9(4)11(15)7(2)8(3)13(12)18-10(5)14(16)17/h10H,6H2,1-5H3
InChIKeyMOIFWQQJIHWYAL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.88
Rot. Bonds1

About 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one

4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one (PubChem CID 59525248) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one
PubChem CID59525248
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(C)Oc2c(C)c(C)c(F)c(C)c21
InChIInChI=1S/C14H18FNO2/c1-6-16-12-9(4)11(15)7(2)8(3)13(12)18-10(5)14(16)17/h10H,6H2,1-5H3
InChIKeyMOIFWQQJIHWYAL-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one (CID 59525248) is 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one is CCN1C(=O)C(C)Oc2c(C)c(C)c(F)c(C)c21.
What is the InChIKey of 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one?
The InChIKey is MOIFWQQJIHWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-6-16-12-9(4)11(15)7(2)8(3)13(12)18-10(5)14(16)17/h10H,6H2,1-5H3.
What are the key properties of 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one?
4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one has a molecular weight of 251.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-2,5,7,8-tetramethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 59525248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).