1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide

C7H14F3NO2S — CID 166446328

IUPAC1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
SMILESCCCC(CC)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-5-6(4-2)11-14(12,13)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyAQVJXYVYQJLEAF-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.00
Rot. Bonds5

About 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide

1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide (PubChem CID 166446328) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
PubChem CID166446328
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
SMILESCCCC(CC)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-5-6(4-2)11-14(12,13)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyAQVJXYVYQJLEAF-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide (CID 166446328) is 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide is CCCC(CC)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide?
The InChIKey is AQVJXYVYQJLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-3-5-6(4-2)11-14(12,13)7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide?
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide is sourced from PubChem (CID 166446328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).