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

C10H10FNO3 — CID 131255263

IUPAC(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2ccc(O)cc2F)CCO1
InChIInChI=1S/C10H10FNO3/c11-8-5-6(13)1-2-7(8)9-3-4-15-10(14)12-9/h1-2,5,9,13H,3-4H2,(H,12,14)/t9-/m1/s1
InChIKeyUMUBHRMUWXPZOU-SECBINFHSA-N
MW211.19 g/mol
LogP1.70
Rot. Bonds1

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

(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one (PubChem CID 131255263) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
PubChem CID131255263
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2ccc(O)cc2F)CCO1
InChIInChI=1S/C10H10FNO3/c11-8-5-6(13)1-2-7(8)9-3-4-15-10(14)12-9/h1-2,5,9,13H,3-4H2,(H,12,14)/t9-/m1/s1
InChIKeyUMUBHRMUWXPZOU-SECBINFHSA-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

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Related Compounds

(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185200
(4S)-4-(2,3,4-trifluorophenyl)-1,3-oxazinan-2-one
CID 171185725
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4S)-4-(5-hydroxy-2-nitrophenyl)-1,3-oxazinan-2-one
CID 171185742
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one (CID 131255263) is (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one is O=C1N[C@@H](c2ccc(O)cc2F)CCO1.
What is the InChIKey of (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is UMUBHRMUWXPZOU-SECBINFHSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-8-5-6(13)1-2-7(8)9-3-4-15-10(14)12-9/h1-2,5,9,13H,3-4H2,(H,12,14)/t9-/m1/s1.
What are the key properties of (4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
(4R)-4-(2-fluoro-4-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-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131255263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).