5-(2-fluorophenyl)-1,3-oxazinan-2-one

C10H10FNO2 — CID 84720417

IUPAC5-(2-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1NCC(c2ccccc2F)CO1
InChIInChI=1S/C10H10FNO2/c11-9-4-2-1-3-8(9)7-5-12-10(13)14-6-7/h1-4,7H,5-6H2,(H,12,13)
InChIKeyPHEFSUDPRJFYMI-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.65
Rot. Bonds1

About 5-(2-fluorophenyl)-1,3-oxazinan-2-one

5-(2-fluorophenyl)-1,3-oxazinan-2-one (PubChem CID 84720417) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,3-oxazinan-2-one
PubChem CID84720417
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-(2-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1NCC(c2ccccc2F)CO1
InChIInChI=1S/C10H10FNO2/c11-9-4-2-1-3-8(9)7-5-12-10(13)14-6-7/h1-4,7H,5-6H2,(H,12,13)
InChIKeyPHEFSUDPRJFYMI-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-fluorophenyl)-1,3-oxazinan-2-one (CID 84720417) is 5-(2-fluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-1,3-oxazinan-2-one is O=C1NCC(c2ccccc2F)CO1.
What is the InChIKey of 5-(2-fluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is PHEFSUDPRJFYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9-4-2-1-3-8(9)7-5-12-10(13)14-6-7/h1-4,7H,5-6H2,(H,12,13).
What are the key properties of 5-(2-fluorophenyl)-1,3-oxazinan-2-one?
5-(2-fluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 195.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 84720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).