[2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C10H13F5NO4S2- — CID 58100594

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H13F5NO4S2/c11-9(12,5-8-4-6-1-2-7(8)3-6)21(17,18)16-22(19,20)10(13,14)15/h6-8H,1-5H2/q-1
InChIKeyZFULJIFEGULNCO-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.96
Rot. Bonds5

About [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 58100594) has the molecular formula C10H13F5NO4S2- and a molecular weight of 370.34 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID58100594
Molecular FormulaC10H13F5NO4S2-
Molecular Weight370.34 g/mol
Exact Mass370.02
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H13F5NO4S2/c11-9(12,5-8-4-6-1-2-7(8)3-6)21(17,18)16-22(19,20)10(13,14)15/h6-8H,1-5H2/q-1
InChIKeyZFULJIFEGULNCO-UHFFFAOYSA-N
XLogP2.96
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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Related Compounds

3-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoropropane-1-sulfonic acid
CID 129061676
2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanethiol
CID 88533788
2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
CID 155621422
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311521
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507
2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59709606
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 58100594) is [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)CC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is ZFULJIFEGULNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5NO4S2/c11-9(12,5-8-4-6-1-2-7(8)3-6)21(17,18)16-22(19,20)10(13,14)15/h6-8H,1-5H2/q-1.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 370.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58100594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).