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

C10H8ClF4NO2 — CID 171187618

IUPAC(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc(F)cc2F)C(F)(F)CO1
InChIInChI=1S/C10H7F4NO2.ClH/c11-5-1-2-6(7(12)3-5)8-10(13,14)4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyFPTPIWQJOVOYPY-DDWIOCJRSA-N
MW285.62 g/mol
LogP2.80
Rot. Bonds1

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

(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187618) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187618
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc(F)cc2F)C(F)(F)CO1
InChIInChI=1S/C10H7F4NO2.ClH/c11-5-1-2-6(7(12)3-5)8-10(13,14)4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyFPTPIWQJOVOYPY-DDWIOCJRSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-bromo-2-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186201
(4S)-4-(2-chloro-5-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186574
(4S)-5,5-difluoro-4-(5-fluoro-2-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171186566
(4R)-4-(2-chloro-5-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188059
(4S)-5,5-difluoro-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazinan-2-one
CID 171186285
(4S)-5,5-difluoro-4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186960
(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187650
(4R)-5,5-difluoro-4-(2,4,6-trifluorophenyl)-1,3-oxazinan-2-one
CID 171188085
(4R)-4-(2-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187982
(4R)-5,5-difluoro-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171187611
(4R)-5,5-difluoro-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171188534
(4R)-4-[2,4-bis(trifluoromethyl)phenyl]-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171188484

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (CID 171187618) is (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2ccc(F)cc2F)C(F)(F)CO1.
What is the InChIKey of (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is FPTPIWQJOVOYPY-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H7F4NO2.ClH/c11-5-1-2-6(7(12)3-5)8-10(13,14)4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 285.62 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).