2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine

C11H12FNO — CID 139645179

IUPAC2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
SMILESFc1ccc(CC2=NCCCO2)cc1
InChIInChI=1S/C11H12FNO/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h2-5H,1,6-8H2
InChIKeyBXBBHVDCDRVRSZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.19
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine

2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 139645179) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID139645179
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
SMILESFc1ccc(CC2=NCCCO2)cc1
InChIInChI=1S/C11H12FNO/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h2-5H,1,6-8H2
InChIKeyBXBBHVDCDRVRSZ-UHFFFAOYSA-N
XLogP2.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine (CID 139645179) is 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine is Fc1ccc(CC2=NCCCO2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is BXBBHVDCDRVRSZ-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/h2-5H,1,6-8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 193.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 139645179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).