cyclohexanamine;trifluoromethanesulfonic acid

C7H14F3NO3S — CID 160893093

IUPACcyclohexanamine;trifluoromethanesulfonic acid
SMILESNC1CCCCC1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H13N.CHF3O3S/c7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h6H,1-5,7H2;(H,5,6,7)
InChIKeySONLCCMPHNZJIV-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.67
Rot. Bonds

About cyclohexanamine;trifluoromethanesulfonic acid

cyclohexanamine;trifluoromethanesulfonic acid (PubChem CID 160893093) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is cyclohexanamine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namecyclohexanamine;trifluoromethanesulfonic acid
PubChem CID160893093
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Namecyclohexanamine;trifluoromethanesulfonic acid
SMILESNC1CCCCC1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H13N.CHF3O3S/c7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h6H,1-5,7H2;(H,5,6,7)
InChIKeySONLCCMPHNZJIV-UHFFFAOYSA-N
XLogP1.67
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

N-((1S,2S)-2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9817239
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
N-((1R,2R)-2-Aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 69344011
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 92974044
N-(2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9796336
N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 69343796
N-[(1R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 69344017
Cyclohexylsulfamoyl(difluoro)methanesulfonic acid
CID 90005418
(4,4-Difluorocyclohexyl)sulfamic acid
CID 158860873
(2,2-Difluorocyclohexyl)sulfamic acid
CID 162505234
(3,3-Difluorocyclohexyl)sulfamic acid
CID 162505237

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;trifluoromethanesulfonic acid?
The IUPAC name of cyclohexanamine;trifluoromethanesulfonic acid (CID 160893093) is cyclohexanamine;trifluoromethanesulfonic acid.
What is the SMILES notation for cyclohexanamine;trifluoromethanesulfonic acid?
The canonical SMILES for cyclohexanamine;trifluoromethanesulfonic acid is NC1CCCCC1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of cyclohexanamine;trifluoromethanesulfonic acid?
The InChIKey is SONLCCMPHNZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CHF3O3S/c7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h6H,1-5,7H2;(H,5,6,7).
What are the key properties of cyclohexanamine;trifluoromethanesulfonic acid?
cyclohexanamine;trifluoromethanesulfonic acid has a molecular weight of 249.25 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;trifluoromethanesulfonic acid is sourced from PubChem (CID 160893093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).