2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide

C11H22F3NO3S — CID 82794784

IUPAC2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
SMILESCCC(CC)(COCCCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C11H22F3NO3S/c1-3-10(4-2,9-19(15,16)17)8-18-7-5-6-11(12,13)14/h3-9H2,1-2H3,(H2,15,16,17)
InChIKeyPGHFQQDKGAVEAY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.44
Rot. Bonds9

About 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide

2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide (PubChem CID 82794784) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
PubChem CID82794784
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
SMILESCCC(CC)(COCCCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C11H22F3NO3S/c1-3-10(4-2,9-19(15,16)17)8-18-7-5-6-11(12,13)14/h3-9H2,1-2H3,(H2,15,16,17)
InChIKeyPGHFQQDKGAVEAY-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.44
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 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide (CID 82794784) is 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide is CCC(CC)(COCCCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
The InChIKey is PGHFQQDKGAVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-3-10(4-2,9-19(15,16)17)8-18-7-5-6-11(12,13)14/h3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide?
2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 82794784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).