(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one

C10H9F2NO2 — CID 171185621

IUPAC(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2cc(F)ccc2F)CCO1
InChIInChI=1S/C10H9F2NO2/c11-6-1-2-8(12)7(5-6)9-3-4-15-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)/t9-/m0/s1
InChIKeyXIGRELZEJZDCDX-VIFPVBQESA-N
MW213.18 g/mol
LogP2.14
Rot. Bonds1

About (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one

(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one (PubChem CID 171185621) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
PubChem CID171185621
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2cc(F)ccc2F)CCO1
InChIInChI=1S/C10H9F2NO2/c11-6-1-2-8(12)7(5-6)9-3-4-15-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)/t9-/m0/s1
InChIKeyXIGRELZEJZDCDX-VIFPVBQESA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131252377
(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
CID 171185912
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one (CID 171185621) is (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one is O=C1N[C@H](c2cc(F)ccc2F)CCO1.
What is the InChIKey of (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is XIGRELZEJZDCDX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-6-1-2-8(12)7(5-6)9-3-4-15-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one?
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 213.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171185621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).