(6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

C12H14FNO3 — CID 143755391

IUPAC(6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1NCC[C@](CCO)(c2ccc(F)cc2)O1
InChIInChI=1S/C12H14FNO3/c13-10-3-1-9(2-4-10)12(6-8-15)5-7-14-11(16)17-12/h1-4,15H,5-8H2,(H,14,16)/t12-/m0/s1
InChIKeyDIOBVHVRYKNKLK-LBPRGKRZSA-N
MW239.25 g/mol
LogP1.53
Rot. Bonds3

About (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

(6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (PubChem CID 143755391) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
PubChem CID143755391
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1NCC[C@](CCO)(c2ccc(F)cc2)O1
InChIInChI=1S/C12H14FNO3/c13-10-3-1-9(2-4-10)12(6-8-15)5-7-14-11(16)17-12/h1-4,15H,5-8H2,(H,14,16)/t12-/m0/s1
InChIKeyDIOBVHVRYKNKLK-LBPRGKRZSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 58485265
3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 42642284
2-[(2R)-2-(4-fluorophenyl)morpholin-2-yl]ethanol
CID 66671456
(6S)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53473233
(5R)-5-(4-fluorophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 93182568
(6R)-3-[(1S)-1-(4-chlorophenyl)ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 58109366
(4S,6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-4-methyl-1,3-oxazinan-2-one
CID 68727354
6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyrazin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66857913
(6R)-6-(4-fluorophenyl)-6-(iodomethyl)oxan-2-one
CID 57407556
3-[(1S)-1-(4-bromophenyl)propyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 66857072
3-[1-(4-cyclopropylphenyl)ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 91440812
3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 42642286

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (CID 143755391) is (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is O=C1NCC[C@](CCO)(c2ccc(F)cc2)O1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The InChIKey is DIOBVHVRYKNKLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-3-1-9(2-4-10)12(6-8-15)5-7-14-11(16)17-12/h1-4,15H,5-8H2,(H,14,16)/t12-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
(6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143755391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).