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

C16H29F6NO4S2 — CID 130205328

IUPAC1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCCCCCCCCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H29F6NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23(28(24,25)15(17,18)19)29(26,27)16(20,21)22/h2-14H2,1H3
InChIKeyMDTNRDNFJDGMMB-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.69
Rot. Bonds15

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

1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 130205328) has the molecular formula C16H29F6NO4S2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID130205328
Molecular FormulaC16H29F6NO4S2
Molecular Weight477.53 g/mol
Exact Mass477.14
IUPAC Name1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCCCCCCCCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H29F6NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23(28(24,25)15(17,18)19)29(26,27)16(20,21)22/h2-14H2,1H3
InChIKeyMDTNRDNFJDGMMB-UHFFFAOYSA-N
XLogP5.69
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.69
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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Related Compounds

Hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 121235739
Trimethyloctylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 25171606
1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87353134
Trimethyldecylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 129853801
1,1,1-trifluoro-N-octyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858947
N-[8-[bis(trifluoromethylsulfonyl)amino]octyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858948
1,1,1-trifluoro-N-hexadecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858970
Octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
N,N,N',N'-Tetrakis(trifluoromethylsulfonyl)dodecane-1,12-diamine
CID 121433236
Tetradecylimino-bis(trifluoromethylsulfonyl)azanium
CID 123991220
N-[2-[bis(trifluoromethylsulfonyl)amino]dodecyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 130297779
Tetradecylammonium bis(trifluoromethanesulfonyl)imide
CID 131741979

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 130205328) is 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCCCCCCCCCCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is MDTNRDNFJDGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F6NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23(28(24,25)15(17,18)19)29(26,27)16(20,21)22/h2-14H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 477.53 g/mol, XLogP of 5.69, 15 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-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 130205328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).