2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone

C12H14FNO2 — CID 110739662

IUPAC2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCCOC1
InChIInChI=1S/C12H14FNO2/c13-11-5-2-1-4-10(11)8-12(15)14-6-3-7-16-9-14/h1-2,4-5H,3,6-9H2
InChIKeyJNLXPSVXCFODIM-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.57
Rot. Bonds2

About 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone

2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone (PubChem CID 110739662) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
PubChem CID110739662
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCCOC1
InChIInChI=1S/C12H14FNO2/c13-11-5-2-1-4-10(11)8-12(15)14-6-3-7-16-9-14/h1-2,4-5H,3,6-9H2
InChIKeyJNLXPSVXCFODIM-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420101
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739668
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739649
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 78085563
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
2-(2-fluorophenyl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]ethanone
CID 95715359
1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 63393016
2-(2-fluorophenyl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125021964

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone (CID 110739662) is 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone is O=C(Cc1ccccc1F)N1CCCOC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
The InChIKey is JNLXPSVXCFODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-5-2-1-4-10(11)8-12(15)14-6-3-7-16-9-14/h1-2,4-5H,3,6-9H2.
What are the key properties of 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone has a molecular weight of 223.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone is sourced from PubChem (CID 110739662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).