N-cyclooctyl-1,1,1-trifluoromethanesulfonamide

C9H16F3NO2S — CID 125496587

IUPACN-cyclooctyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-8-6-4-2-1-3-5-7-8/h8,13H,1-7H2
InChIKeyORTMCIDKWIAOPT-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.54
Rot. Bonds2

About N-cyclooctyl-1,1,1-trifluoromethanesulfonamide

N-cyclooctyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 125496587) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-cyclooctyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-1,1,1-trifluoromethanesulfonamide
PubChem CID125496587
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-cyclooctyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-8-6-4-2-1-3-5-7-8/h8,13H,1-7H2
InChIKeyORTMCIDKWIAOPT-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
N-Cyclooctyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 102225000
N-cyclooctylmethanesulfonamide
CID 2930737
N-cycloheptyl-1,1,1-trifluoromethanesulfonamide
CID 125496604
N-decyl-1,1,1-trifluoromethanesulfonamide
CID 87227692
N-cyclodecyl-1,1,1-trifluoromethanesulfonamide
CID 177855030
N-cyclopentadecyl-1,1,1-trifluoromethanesulfonamide
CID 177855031
1,1,1-trifluoro-N-octylmethanesulfonamide
CID 54527163
N-dodecyl-1,1-difluoromethanesulfonamide
CID 58435936
1,1,1-trifluoro-N-tetradecylmethanesulfonamide
CID 87227476
1,1,1-trifluoro-N-tridecylmethanesulfonamide
CID 87227584
1,1,1-trifluoro-N-undecylmethanesulfonamide
CID 89694354

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-cyclooctyl-1,1,1-trifluoromethanesulfonamide (CID 125496587) is N-cyclooctyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-cyclooctyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-cyclooctyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCCCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclooctyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ORTMCIDKWIAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-8-6-4-2-1-3-5-7-8/h8,13H,1-7H2.
What are the key properties of N-cyclooctyl-1,1,1-trifluoromethanesulfonamide?
N-cyclooctyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 125496587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).