(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride

C10H10ClF2NO2 — CID 171184997

IUPAC(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(F)cc(F)c2)CCO1
InChIInChI=1S/C10H9F2NO2.ClH/c11-7-3-6(4-8(12)5-7)9-1-2-15-10(14)13-9;/h3-5,9H,1-2H2,(H,13,14);1H/t9-;/m1./s1
InChIKeyCFHYGNXDWIVDRT-SBSPUUFOSA-N
MW249.64 g/mol
LogP2.56
Rot. Bonds1

About (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184997) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184997
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(F)cc(F)c2)CCO1
InChIInChI=1S/C10H9F2NO2.ClH/c11-7-3-6(4-8(12)5-7)9-1-2-15-10(14)13-9;/h3-5,9H,1-2H2,(H,13,14);1H/t9-;/m1./s1
InChIKeyCFHYGNXDWIVDRT-SBSPUUFOSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
(4S)-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185872
(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185200
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184954
(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185109
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184997) is (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2cc(F)cc(F)c2)CCO1.
What is the InChIKey of (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is CFHYGNXDWIVDRT-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H9F2NO2.ClH/c11-7-3-6(4-8(12)5-7)9-1-2-15-10(14)13-9;/h3-5,9H,1-2H2,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 249.64 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).