(4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one

C10H10FNO3 — CID 131488536

IUPAC(4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2cccc(F)c2O)CCO1
InChIInChI=1S/C10H10FNO3/c11-7-3-1-2-6(9(7)13)8-4-5-15-10(14)12-8/h1-3,8,13H,4-5H2,(H,12,14)/t8-/m1/s1
InChIKeyQYPZOWIGBUHCJR-MRVPVSSYSA-N
MW211.19 g/mol
LogP1.70
Rot. Bonds1

About (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one

(4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one (PubChem CID 131488536) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
PubChem CID131488536
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2cccc(F)c2O)CCO1
InChIInChI=1S/C10H10FNO3/c11-7-3-1-2-6(9(7)13)8-4-5-15-10(14)12-8/h1-3,8,13H,4-5H2,(H,12,14)/t8-/m1/s1
InChIKeyQYPZOWIGBUHCJR-MRVPVSSYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2-hydroxyphenyl)methyl]carbamate
CID 12074946
methyl N-[(2-hydroxyphenyl)methyl]carbamate
CID 12175791
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate
CID 69109016
benzyl N-[(1R)-1-(5-fluoro-2-hydroxyphenyl)ethyl]carbamate
CID 134844794
tert-butyl N-[(1R)-1-(3-fluoro-2-hydroxyphenyl)-3-phenylprop-2-ynyl]carbamate
CID 134957393
benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate
CID 69136408
[2-(4-fluoro-2-methoxyphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
CID 57939417
(4-Fluoro-2-hydroxyphenyl)methylcarbamic acid
CID 67109435
Tert-butyl 4-fluoro-2-hydroxybenzylcarbamate
CID 67109671
methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate
CID 68503523
tert-butyl N-[(2-fluoro-6-hydroxyphenyl)methyl]carbamate
CID 87743290
tert-butyl N-[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]carbamate
CID 91517959

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one (CID 131488536) is (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one is O=C1N[C@@H](c2cccc(F)c2O)CCO1.
What is the InChIKey of (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is QYPZOWIGBUHCJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-7-3-1-2-6(9(7)13)8-4-5-15-10(14)12-8/h1-3,8,13H,4-5H2,(H,12,14)/t8-/m1/s1.
What are the key properties of (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one?
(4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 211.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131488536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).