3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide

C10H20F3NO3S — CID 82795092

IUPAC3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide
SMILESCC(CCOCCCC(F)(F)F)CCS(N)(=O)=O
InChIInChI=1S/C10H20F3NO3S/c1-9(4-8-18(14,15)16)3-7-17-6-2-5-10(11,12)13/h9H,2-8H2,1H3,(H2,14,15,16)
InChIKeyRMKDBAYVODOQNR-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.05
Rot. Bonds9

About 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide

3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide (PubChem CID 82795092) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide
PubChem CID82795092
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide
SMILESCC(CCOCCCC(F)(F)F)CCS(N)(=O)=O
InChIInChI=1S/C10H20F3NO3S/c1-9(4-8-18(14,15)16)3-7-17-6-2-5-10(11,12)13/h9H,2-8H2,1H3,(H2,14,15,16)
InChIKeyRMKDBAYVODOQNR-UHFFFAOYSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.05
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-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide?
The IUPAC name of 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide (CID 82795092) is 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide.
What is the SMILES notation for 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide?
The canonical SMILES for 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide is CC(CCOCCCC(F)(F)F)CCS(N)(=O)=O.
What is the InChIKey of 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide?
The InChIKey is RMKDBAYVODOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-9(4-8-18(14,15)16)3-7-17-6-2-5-10(11,12)13/h9H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide?
3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4,4,4-trifluorobutoxy)pentane-1-sulfonamide is sourced from PubChem (CID 82795092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).