N-(trifluoromethylsulfonyl)cyclooctanecarboxamide

C10H16F3NO3S — CID 155170746

IUPACN-(trifluoromethylsulfonyl)cyclooctanecarboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)C1CCCCCCC1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)18(16,17)14-9(15)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,14,15)
InChIKeyGQKCYFYHSKVIRH-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.31
Rot. Bonds2

About N-(trifluoromethylsulfonyl)cyclooctanecarboxamide

N-(trifluoromethylsulfonyl)cyclooctanecarboxamide (PubChem CID 155170746) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)cyclooctanecarboxamide
PubChem CID155170746
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC NameN-(trifluoromethylsulfonyl)cyclooctanecarboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)C1CCCCCCC1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)18(16,17)14-9(15)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,14,15)
InChIKeyGQKCYFYHSKVIRH-UHFFFAOYSA-N
XLogP2.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(trifluoromethylsulfonyl)cyclopentanecarboxamide
CID 100983151
3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide
CID 154028066
N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylcycloheptanecarboxamide
CID 100983148
N-sulfamoylcyclohexanecarboxamide
CID 85138714
N-methylsulfonylcyclopentanecarboxamide
CID 70165379
2-cyclopentyl-N-(trifluoromethylsulfonyl)acetamide
CID 155170690
(2S,3aS,7aS)-1-methyl-N-(trifluoromethylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 11483840
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide
CID 108537602
N-hydroxycyclohexanecarboxamide;hydrochloride
CID 174569477
tricyclohexylphosphane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 158312526

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)cyclooctanecarboxamide?
The IUPAC name of N-(trifluoromethylsulfonyl)cyclooctanecarboxamide (CID 155170746) is N-(trifluoromethylsulfonyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)cyclooctanecarboxamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)cyclooctanecarboxamide is O=C(NS(=O)(=O)C(F)(F)F)C1CCCCCCC1.
What is the InChIKey of N-(trifluoromethylsulfonyl)cyclooctanecarboxamide?
The InChIKey is GQKCYFYHSKVIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)18(16,17)14-9(15)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,14,15).
What are the key properties of N-(trifluoromethylsulfonyl)cyclooctanecarboxamide?
N-(trifluoromethylsulfonyl)cyclooctanecarboxamide has a molecular weight of 287.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)cyclooctanecarboxamide is sourced from PubChem (CID 155170746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).