7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine

C16H14FNO — CID 134251605

IUPAC7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine
SMILESCC1=NOC(C)c2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FNO/c1-10-15-8-5-13(9-16(15)11(2)19-18-10)12-3-6-14(17)7-4-12/h3-9,11H,1-2H3
InChIKeyHCGKFDVLCNDEJZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.31
Rot. Bonds1

About 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine

7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine (PubChem CID 134251605) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine
PubChem CID134251605
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine
SMILESCC1=NOC(C)c2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FNO/c1-10-15-8-5-13(9-16(15)11(2)19-18-10)12-3-6-14(17)7-4-12/h3-9,11H,1-2H3
InChIKeyHCGKFDVLCNDEJZ-UHFFFAOYSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine 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 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine?
The IUPAC name of 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine (CID 134251605) is 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine.
What is the SMILES notation for 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine?
The canonical SMILES for 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine is CC1=NOC(C)c2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine?
The InChIKey is HCGKFDVLCNDEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-15-8-5-13(9-16(15)11(2)19-18-10)12-3-6-14(17)7-4-12/h3-9,11H,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine?
7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine has a molecular weight of 255.29 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1,4-dimethyl-1H-2,3-benzoxazine is sourced from PubChem (CID 134251605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).