1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide

C15H25F7NO4S2- — CID 59046742

IUPAC1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCCCCCCCCCCC(F)(C(F)(F)F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H25F7NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13(16,14(17,18)19)28(24,25)23-29(26,27)15(20,21)22/h2-12H2,1H3/q-1
InChIKeyNMVBTCHPAPTYCR-UHFFFAOYSA-N
MW480.49 g/mol
LogP6.08
Rot. Bonds14

About 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide

1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59046742) has the molecular formula C15H25F7NO4S2- and a molecular weight of 480.49 g/mol. Its IUPAC name is 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59046742
Molecular FormulaC15H25F7NO4S2-
Molecular Weight480.49 g/mol
Exact Mass480.11
IUPAC Name1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCCCCCCCCCCC(F)(C(F)(F)F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H25F7NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13(16,14(17,18)19)28(24,25)23-29(26,27)15(20,21)22/h2-12H2,1H3/q-1
InChIKeyNMVBTCHPAPTYCR-UHFFFAOYSA-N
XLogP6.08
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 56.08
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

decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
CID 158388046
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59046742) is 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide is CCCCCCCCCCCCC(F)(C(F)(F)F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is NMVBTCHPAPTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F7NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13(16,14(17,18)19)28(24,25)23-29(26,27)15(20,21)22/h2-12H2,1H3/q-1.
What are the key properties of 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide?
1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 480.49 g/mol, XLogP of 6.08, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).