(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H14F3NOS — CID 121324402

IUPAC(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(/c1ccccc1F)C(F)F
InChIInChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-10(11(14)15)8-6-4-5-7-9(8)13/h4-7,11H,1-3H3/b16-10-/t18-/m1/s1
InChIKeyPIHYTXPRBMDBKO-CFINBHSISA-N
MW277.31 g/mol
LogP3.34
Rot. Bonds3

About (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 121324402) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID121324402
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(/c1ccccc1F)C(F)F
InChIInChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-10(11(14)15)8-6-4-5-7-9(8)13/h4-7,11H,1-3H3/b16-10-/t18-/m1/s1
InChIKeyPIHYTXPRBMDBKO-CFINBHSISA-N
XLogP3.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-(5-bromo-2-fluorophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
CID 87096337
(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
CID 129202531
N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide
CID 154038981
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
(R)-N-[1-(3-amino-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 152664377
(NE,R)-N-[1-(6-bromo-2-pyridinyl)-2-fluoropropylidene]-2-methylpropane-2-sulfinamide
CID 118670701
(NZ,S)-2-methyl-N-[2,2,2-trifluoro-1-(2-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 71560122
(NZ)-N-[(5-bromo-2-fluorophenyl)-(2-cyano-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58579495
(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 129382914
1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456290
(NE,S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 11492289

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 121324402) is (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C(/c1ccccc1F)C(F)F.
What is the InChIKey of (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PIHYTXPRBMDBKO-CFINBHSISA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-10(11(14)15)8-6-4-5-7-9(8)13/h4-7,11H,1-3H3/b16-10-/t18-/m1/s1.
What are the key properties of (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 277.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121324402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).