2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide

C12H14F3NOS — CID 66579129

IUPAC2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCc1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-5-4-9-10(14)6-8(13)7-11(9)15/h5-7H,4H2,1-3H3
InChIKeyJHYLPVWSOKHGRF-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide

2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide (PubChem CID 66579129) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
PubChem CID66579129
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCc1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-5-4-9-10(14)6-8(13)7-11(9)15/h5-7H,4H2,1-3H3
InChIKeyJHYLPVWSOKHGRF-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide (CID 66579129) is 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide is CC(C)(C)S(=O)N=CCc1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide?
The InChIKey is JHYLPVWSOKHGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-5-4-9-10(14)6-8(13)7-11(9)15/h5-7H,4H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide?
2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide has a molecular weight of 277.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide is sourced from PubChem (CID 66579129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).