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

C10H9ClF3NO2 — CID 171187650

IUPAC(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc(F)cc2)C(F)(F)CO1
InChIInChI=1S/C10H8F3NO2.ClH/c11-7-3-1-6(2-4-7)8-10(12,13)5-16-9(15)14-8;/h1-4,8H,5H2,(H,14,15);1H/t8-;/m1./s1
InChIKeyHWQWSVLHQNVLRJ-DDWIOCJRSA-N
MW267.63 g/mol
LogP2.66
Rot. Bonds1

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

(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187650) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187650
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc(F)cc2)C(F)(F)CO1
InChIInChI=1S/C10H8F3NO2.ClH/c11-7-3-1-6(2-4-7)8-10(12,13)5-16-9(15)14-8;/h1-4,8H,5H2,(H,14,15);1H/t8-;/m1./s1
InChIKeyHWQWSVLHQNVLRJ-DDWIOCJRSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5,5-difluoro-4-(4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171186128
(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
CID 171188729
4-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171187582
(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187698
4-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171186105
(4R)-5,5-difluoro-4-(4-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187558
(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187800
(4R)-4-(3-chloro-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187822
(4S)-4-(3,4-dichlorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186414
(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187618
(4R)-5,5-difluoro-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one
CID 171188291
(4R)-4-(4-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188409

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171187650) is (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2ccc(F)cc2)C(F)(F)CO1.
What is the InChIKey of (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is HWQWSVLHQNVLRJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H8F3NO2.ClH/c11-7-3-1-6(2-4-7)8-10(12,13)5-16-9(15)14-8;/h1-4,8H,5H2,(H,14,15);1H/t8-;/m1./s1.
What are the key properties of (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 267.63 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).