(NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide

C14H16F3NO2S — CID 176861733

IUPAC(NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C1/CCc2c1ccc(F)c2OC(F)F
InChIInChI=1S/C14H16F3NO2S/c1-14(2,3)21(19)18-11-7-5-9-8(11)4-6-10(15)12(9)20-13(16)17/h4,6,13H,5,7H2,1-3H3/b18-11-/t21-/m1/s1
InChIKeyANHAXZAGYJTNGO-PETIARSGSA-N
MW319.35 g/mol
LogP3.62
Rot. Bonds3

About (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 176861733) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID176861733
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name(NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C1/CCc2c1ccc(F)c2OC(F)F
InChIInChI=1S/C14H16F3NO2S/c1-14(2,3)21(19)18-11-7-5-9-8(11)4-6-10(15)12(9)20-13(16)17/h4,6,13H,5,7H2,1-3H3/b18-11-/t21-/m1/s1
InChIKeyANHAXZAGYJTNGO-PETIARSGSA-N
XLogP3.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide (CID 176861733) is (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C1/CCc2c1ccc(F)c2OC(F)F.
What is the InChIKey of (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ANHAXZAGYJTNGO-PETIARSGSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c1-14(2,3)21(19)18-11-7-5-9-8(11)4-6-10(15)12(9)20-13(16)17/h4,6,13H,5,7H2,1-3H3/b18-11-/t21-/m1/s1.
What are the key properties of (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 319.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[4-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176861733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).