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

C10H10FNO2 — CID 84720415

IUPAC5-(3-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1NCC(c2cccc(F)c2)CO1
InChIInChI=1S/C10H10FNO2/c11-9-3-1-2-7(4-9)8-5-12-10(13)14-6-8/h1-4,8H,5-6H2,(H,12,13)
InChIKeyUGUSTDYLYBIING-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.65
Rot. Bonds1

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

5-(3-fluorophenyl)-1,3-oxazinan-2-one (PubChem CID 84720415) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,3-oxazinan-2-one
PubChem CID84720415
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-(3-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1NCC(c2cccc(F)c2)CO1
InChIInChI=1S/C10H10FNO2/c11-9-3-1-2-7(4-9)8-5-12-10(13)14-6-8/h1-4,8H,5-6H2,(H,12,13)
InChIKeyUGUSTDYLYBIING-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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Related Compounds

4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one
CID 21350392
(+/-)-threo-Ritalinol acetate
CID 52941166
4-Phenyl-1,3-oxazinan-2-one
CID 12163896
2-Oxazolidinone, 5-((4-fluorophenyl)methyl)-
CID 3046891
2-Oxazolidinone, 5-((2-fluorophenyl)methyl)-
CID 3046900
Carbamic acid, (2-piperidinoethyl)-, phenethyl ester, monohydrochloride
CID 34278
Carbamic acid, ethyl-, beta-ethyl-beta-(hydroxymethyl)phenethyl ester, carbamate (ester)
CID 213162
tert-Butyl ((2R,3R)-4'-fluoro-2-(hydroxymethyl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-3-yl)carbamate
CID 134961761
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
5-Fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one
CID 71413182
[(1R,6R)-2-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl]methyl acetate
CID 134961759
tert-butyl N-[(1S,2S)-3-(4-fluorophenyl)-2-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate
CID 134961760

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(3-fluorophenyl)-1,3-oxazinan-2-one (CID 84720415) is 5-(3-fluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-1,3-oxazinan-2-one is O=C1NCC(c2cccc(F)c2)CO1.
What is the InChIKey of 5-(3-fluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is UGUSTDYLYBIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9-3-1-2-7(4-9)8-5-12-10(13)14-6-8/h1-4,8H,5-6H2,(H,12,13).
What are the key properties of 5-(3-fluorophenyl)-1,3-oxazinan-2-one?
5-(3-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-(3-fluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 84720415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).