3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one

C11H12FNO3 — CID 117011455

IUPAC3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESO=C1OCCC(CO)N1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c12-8-1-3-9(4-2-8)13-10(7-14)5-6-16-11(13)15/h1-4,10,14H,5-7H2
InChIKeyOXSXISMECLFLSQ-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.53
Rot. Bonds2

About 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one

3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one (PubChem CID 117011455) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
PubChem CID117011455
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESO=C1OCCC(CO)N1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c12-8-1-3-9(4-2-8)13-10(7-14)5-6-16-11(13)15/h1-4,10,14H,5-7H2
InChIKeyOXSXISMECLFLSQ-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945
4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
CID 117010932
3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064330
3-(4-bromophenyl)-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 117010408
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
CID 83849659
3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755381
2-[3-(3-cyanophenyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011291
3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
CID 62023163
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one (CID 117011455) is 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one is O=C1OCCC(CO)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one?
The InChIKey is OXSXISMECLFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-1-3-9(4-2-8)13-10(7-14)5-6-16-11(13)15/h1-4,10,14H,5-7H2.
What are the key properties of 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one?
3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one has a molecular weight of 225.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).