1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C8H13F6NO4S2 — CID 87353134

IUPAC1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F6NO4S2/c1-2-3-4-5-6-15(20(16,17)7(9,10)11)21(18,19)8(12,13)14/h2-6H2,1H3
InChIKeySFGBOPORUZVLIP-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.57
Rot. Bonds7

About 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide

1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 87353134) has the molecular formula C8H13F6NO4S2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID87353134
Molecular FormulaC8H13F6NO4S2
Molecular Weight365.32 g/mol
Exact Mass365.02
IUPAC Name1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F6NO4S2/c1-2-3-4-5-6-15(20(16,17)7(9,10)11)21(18,19)8(12,13)14/h2-6H2,1H3
InChIKeySFGBOPORUZVLIP-UHFFFAOYSA-N
XLogP2.57
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 87353134) is 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is SFGBOPORUZVLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO4S2/c1-2-3-4-5-6-15(20(16,17)7(9,10)11)21(18,19)8(12,13)14/h2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 365.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 87353134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).