(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one

C10H8ClF2NO2 — CID 171185912

IUPAC(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2c(F)cc(Cl)cc2F)CCO1
InChIInChI=1S/C10H8ClF2NO2/c11-5-3-6(12)9(7(13)4-5)8-1-2-16-10(15)14-8/h3-4,8H,1-2H2,(H,14,15)/t8-/m0/s1
InChIKeyCIFSCHWZIOCNSY-QMMMGPOBSA-N
MW247.63 g/mol
LogP2.79
Rot. Bonds1

About (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one

(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one (PubChem CID 171185912) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
PubChem CID171185912
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2c(F)cc(Cl)cc2F)CCO1
InChIInChI=1S/C10H8ClF2NO2/c11-5-3-6(12)9(7(13)4-5)8-1-2-16-10(15)14-8/h3-4,8H,1-2H2,(H,14,15)/t8-/m0/s1
InChIKeyCIFSCHWZIOCNSY-QMMMGPOBSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2,6-difluoro-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185840
(4S)-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185872
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185407
(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-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(4R)-4-(4-chloro-2,6-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187087
4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 130146009
(4S)-4-(5-chloro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185976

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one (CID 171185912) is (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one is O=C1N[C@H](c2c(F)cc(Cl)cc2F)CCO1.
What is the InChIKey of (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is CIFSCHWZIOCNSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c11-5-3-6(12)9(7(13)4-5)8-1-2-16-10(15)14-8/h3-4,8H,1-2H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one?
(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 247.63 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171185912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).