2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine

C11H12FNO — CID 174567508

IUPAC2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine
SMILESFc1ccc(CC2NCC=CO2)cc1
InChIInChI=1S/C11H12FNO/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h1-5,7,11,13H,6,8H2
InChIKeyYXQCRVMQPKOJEI-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.83
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine

2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine (PubChem CID 174567508) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine
PubChem CID174567508
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine
SMILESFc1ccc(CC2NCC=CO2)cc1
InChIInChI=1S/C11H12FNO/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h1-5,7,11,13H,6,8H2
InChIKeyYXQCRVMQPKOJEI-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine 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 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine (CID 174567508) is 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine is Fc1ccc(CC2NCC=CO2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine?
The InChIKey is YXQCRVMQPKOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h1-5,7,11,13H,6,8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine?
2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine has a molecular weight of 193.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 174567508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).