8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

C15H12ClF2NO — CID 114872241

IUPAC8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2cc(F)cc(Cl)c2OC1c1cccc(F)c1
InChIInChI=1S/C15H12ClF2NO/c1-8-14(9-3-2-4-10(17)5-9)20-15-12(16)6-11(18)7-13(15)19-8/h2-8,14,19H,1H3
InChIKeyLGQFXRHPDIMIBS-UHFFFAOYSA-N
MW295.72 g/mol
LogP4.55
Rot. Bonds1

About 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 114872241) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID114872241
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2cc(F)cc(Cl)c2OC1c1cccc(F)c1
InChIInChI=1S/C15H12ClF2NO/c1-8-14(9-3-2-4-10(17)5-9)20-15-12(16)6-11(18)7-13(15)19-8/h2-8,14,19H,1H3
InChIKeyLGQFXRHPDIMIBS-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872220
6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720778
8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 112679294
2-(3-fluorophenyl)-3,6-dimethylmorpholine
CID 114872193
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
2-(3-fluorophenyl)-3,6-dimethyl-1,4-oxazepane
CID 114872204
(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine
CID 67655096
(2S,3S,5R)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine;hydrochloride
CID 67706284
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 115996218
2-(3-fluorophenyl)-3-methyl-6-propan-2-ylmorpholine
CID 114872237
6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
CID 114872236

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 114872241) is 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1Nc2cc(F)cc(Cl)c2OC1c1cccc(F)c1.
What is the InChIKey of 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LGQFXRHPDIMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-8-14(9-3-2-4-10(17)5-9)20-15-12(16)6-11(18)7-13(15)19-8/h2-8,14,19H,1H3.
What are the key properties of 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 295.72 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 114872241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).