3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide

C10H20F3NO3S — CID 82795242

IUPAC3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COCCCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C10H20F3NO3S/c1-8(2)9(7-18(14,15)16)6-17-5-3-4-10(11,12)13/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUSUWULSSWXBTPG-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.91
Rot. Bonds8

About 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide

3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide (PubChem CID 82795242) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
PubChem CID82795242
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COCCCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C10H20F3NO3S/c1-8(2)9(7-18(14,15)16)6-17-5-3-4-10(11,12)13/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUSUWULSSWXBTPG-UHFFFAOYSA-N
XLogP1.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide (CID 82795242) is 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide is CC(C)C(COCCCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
The InChIKey is USUWULSSWXBTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-8(2)9(7-18(14,15)16)6-17-5-3-4-10(11,12)13/h8-9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 82795242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).