3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine

C15H12FNO — CID 1489660

IUPAC3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)N=C(c1ccc(F)cc1)CO2
InChIInChI=1S/C15H12FNO/c1-10-2-7-15-13(8-10)17-14(9-18-15)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3
InChIKeyAUXBNOADBOUOEQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.65
Rot. Bonds1

About 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine

3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine (PubChem CID 1489660) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine
PubChem CID1489660
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)N=C(c1ccc(F)cc1)CO2
InChIInChI=1S/C15H12FNO/c1-10-2-7-15-13(8-10)17-14(9-18-15)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3
InChIKeyAUXBNOADBOUOEQ-UHFFFAOYSA-N
XLogP3.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenz(b,f)(1,4)oxazepine, 11-methyl-
CID 17870
(3Z)-6-methyl-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
CID 135403477
3-(4-methoxyphenyl)-2H-1,4-benzoxazine
CID 1481803
3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine
CID 1489662
3-phenyl-2H-1,4-benzoxazine
CID 1481783
4-Fluoro-N-((4-(phenylmethoxy)phenyl)methylene)benzenamine
CID 791783
3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine
CID 1489664
6-Methyl-3-phenyl-2H-1,4-benzoxazin-2-one
CID 374657
2-(Benzyloxy)-5-(trifluoromethyl)aniline
CID 685186
3-(4-Bromophenyl)-2H-1,4-benzoxazine
CID 786879
14,26-Dimethyl-18,22-dioxa-2,11-diazatetracyclo[21.4.0.04,9.012,17]heptacosa-1(23),2,4,6,8,10,12(17),13,15,24,26-undecaene
CID 44127981
8-Methyldibenzo(b,f)(1,4)oxazepine
CID 325267

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine (CID 1489660) is 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine is Cc1ccc2c(c1)N=C(c1ccc(F)cc1)CO2.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine?
The InChIKey is AUXBNOADBOUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-2-7-15-13(8-10)17-14(9-18-15)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine?
3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine has a molecular weight of 241.27 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine is sourced from PubChem (CID 1489660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).