(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one

C11H10ClF2NO2 — CID 171188497

IUPAC(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
SMILESCc1cccc(Cl)c1[C@H]1NC(=O)OCC1(F)F
InChIInChI=1S/C11H10ClF2NO2/c1-6-3-2-4-7(12)8(6)9-11(13,14)5-17-10(16)15-9/h2-4,9H,5H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQEVBRMLLQBNZFZ-SECBINFHSA-N
MW261.65 g/mol
LogP3.06
Rot. Bonds1

About (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one

(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one (PubChem CID 171188497) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
PubChem CID171188497
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
SMILESCc1cccc(Cl)c1[C@H]1NC(=O)OCC1(F)F
InChIInChI=1S/C11H10ClF2NO2/c1-6-3-2-4-7(12)8(6)9-11(13,14)5-17-10(16)15-9/h2-4,9H,5H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQEVBRMLLQBNZFZ-SECBINFHSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one (CID 171188497) is (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one is Cc1cccc(Cl)c1[C@H]1NC(=O)OCC1(F)F.
What is the InChIKey of (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one?
The InChIKey is QEVBRMLLQBNZFZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c1-6-3-2-4-7(12)8(6)9-11(13,14)5-17-10(16)15-9/h2-4,9H,5H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one?
(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one has a molecular weight of 261.65 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one is sourced from PubChem (CID 171188497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).