2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide

C11H20F3NOS — CID 177479582

IUPAC2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide
SMILESC=C(C)CC(C)(NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)7-10(6,11(12,13)14)15-17(16)9(3,4)5/h15H,1,7H2,2-6H3
InChIKeyGGDFKDJGHAWWFX-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.33
Rot. Bonds4

About 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide

2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide (PubChem CID 177479582) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide
PubChem CID177479582
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide
SMILESC=C(C)CC(C)(NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)7-10(6,11(12,13)14)15-17(16)9(3,4)5/h15H,1,7H2,2-6H3
InChIKeyGGDFKDJGHAWWFX-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide (CID 177479582) is 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide is C=C(C)CC(C)(NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide?
The InChIKey is GGDFKDJGHAWWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8(2)7-10(6,11(12,13)14)15-17(16)9(3,4)5/h15H,1,7H2,2-6H3.
What are the key properties of 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide?
2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide has a molecular weight of 271.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide is sourced from PubChem (CID 177479582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).