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

C15H13ClFNO — CID 112679294

IUPAC8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2cccc(Cl)c2OC1c1ccccc1F
InChIInChI=1S/C15H13ClFNO/c1-9-14(10-5-2-3-7-12(10)17)19-15-11(16)6-4-8-13(15)18-9/h2-9,14,18H,1H3
InChIKeyYJNXWAMHCWZTKV-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.41
Rot. Bonds1

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

8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 112679294) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID112679294
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2cccc(Cl)c2OC1c1ccccc1F
InChIInChI=1S/C15H13ClFNO/c1-9-14(10-5-2-3-7-12(10)17)19-15-11(16)6-4-8-13(15)18-9/h2-9,14,18H,1H3
InChIKeyYJNXWAMHCWZTKV-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 115996218
2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84625365
8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872241
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84621369
methyl 7-chloro-2,3-dihydro-1,3-benzoxazole-2-carboxylate
CID 71607305
6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720778
2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 82971203
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
CID 170730200
9-fluoro-2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229787
2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline
CID 164880767

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 112679294) is 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1Nc2cccc(Cl)c2OC1c1ccccc1F.
What is the InChIKey of 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YJNXWAMHCWZTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-14(10-5-2-3-7-12(10)17)19-15-11(16)6-4-8-13(15)18-9/h2-9,14,18H,1H3.
What are the key properties of 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 277.73 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 112679294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).