(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one

C10H9F2NO2 — CID 171188729

IUPAC(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2)C(F)(F)CO1
InChIInChI=1S/C10H9F2NO2/c11-10(12)6-15-9(14)13-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m1/s1
InChIKeyFKUSNFFHIXNNAT-MRVPVSSYSA-N
MW213.18 g/mol
LogP2.10
Rot. Bonds1

About (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one

(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one (PubChem CID 171188729) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
PubChem CID171188729
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2)C(F)(F)CO1
InChIInChI=1S/C10H9F2NO2/c11-10(12)6-15-9(14)13-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m1/s1
InChIKeyFKUSNFFHIXNNAT-MRVPVSSYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187650
(4S)-5,5-difluoro-4-(4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171186128
4-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171187582
4-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171186105
(4S)-5,5-difluoro-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187010
(4R)-5,5-difluoro-4-(3,4,5-trifluorophenyl)-1,3-oxazinan-2-one
CID 171188163
(4S)-4-(3,5-dimethylphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186464
(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187698
3-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzonitrile
CID 171187829
(4R)-5,5-difluoro-4-(3-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 171188565
(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187816
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one (CID 171188729) is (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one is O=C1N[C@H](c2ccccc2)C(F)(F)CO1.
What is the InChIKey of (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one?
The InChIKey is FKUSNFFHIXNNAT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-10(12)6-15-9(14)13-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one?
(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one has a molecular weight of 213.18 g/mol, XLogP of 2.10, 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-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171188729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).