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

C15H14FNO — CID 79017957

IUPAC2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1OC(c1ccc(F)cc1)CN2
InChIInChI=1S/C15H14FNO/c1-10-3-2-4-13-15(10)18-14(9-17-13)11-5-7-12(16)8-6-11/h2-8,14,17H,9H2,1H3
InChIKeyHEPMWHHHLAOHCM-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.68
Rot. Bonds1

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

2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 79017957) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID79017957
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1OC(c1ccc(F)cc1)CN2
InChIInChI=1S/C15H14FNO/c1-10-3-2-4-13-15(10)18-14(9-17-13)11-5-7-12(16)8-6-11/h2-8,14,17H,9H2,1H3
InChIKeyHEPMWHHHLAOHCM-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 79017957) is 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cccc2c1OC(c1ccc(F)cc1)CN2.
What is the InChIKey of 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is HEPMWHHHLAOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-10-3-2-4-13-15(10)18-14(9-17-13)11-5-7-12(16)8-6-11/h2-8,14,17H,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 243.28 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 79017957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).