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

C10H10FNO3 — CID 131593675

IUPAC(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccc(O)c(F)c2)CCO1
InChIInChI=1S/C10H10FNO3/c11-7-5-6(1-2-9(7)13)8-3-4-15-10(14)12-8/h1-2,5,8,13H,3-4H2,(H,12,14)/t8-/m0/s1
InChIKeyKERQKZWROBJBCY-QMMMGPOBSA-N
MW211.19 g/mol
LogP1.70
Rot. Bonds1

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

(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one (PubChem CID 131593675) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
PubChem CID131593675
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccc(O)c(F)c2)CCO1
InChIInChI=1S/C10H10FNO3/c11-7-5-6(1-2-9(7)13)8-3-4-15-10(14)12-8/h1-2,5,8,13H,3-4H2,(H,12,14)/t8-/m0/s1
InChIKeyKERQKZWROBJBCY-QMMMGPOBSA-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

(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184954
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one (CID 131593675) is (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one is O=C1N[C@H](c2ccc(O)c(F)c2)CCO1.
What is the InChIKey of (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is KERQKZWROBJBCY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-7-5-6(1-2-9(7)13)8-3-4-15-10(14)12-8/h1-2,5,8,13H,3-4H2,(H,12,14)/t8-/m0/s1.
What are the key properties of (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one?
(4S)-4-(3-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 (4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131593675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).