cyclohexyl-(difluoromethyl)-dimethylazanium iodide

C9H18F2IN — CID 24750838

IUPACcyclohexyl-(difluoromethyl)-dimethylazanium iodide
SMILESC[N+](C)(C(F)F)C1CCCCC1.[I-]
InChIInChI=1S/C9H18F2N.HI/c1-12(2,9(10)11)8-6-4-3-5-7-8;/h8-9H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyBKAPDQLRUFMPTF-UHFFFAOYSA-M
MW305.15 g/mol
LogP-0.38
Rot. Bonds2

About cyclohexyl-(difluoromethyl)-dimethylazanium iodide

cyclohexyl-(difluoromethyl)-dimethylazanium iodide (PubChem CID 24750838) has the molecular formula C9H18F2IN and a molecular weight of 305.15 g/mol. Its IUPAC name is cyclohexyl-(difluoromethyl)-dimethylazanium iodide.

Molecular Properties

Compound Namecyclohexyl-(difluoromethyl)-dimethylazanium iodide
PubChem CID24750838
Molecular FormulaC9H18F2IN
Molecular Weight305.15 g/mol
Exact Mass305.05
IUPAC Namecyclohexyl-(difluoromethyl)-dimethylazanium iodide
SMILESC[N+](C)(C(F)F)C1CCCCC1.[I-]
InChIInChI=1S/C9H18F2N.HI/c1-12(2,9(10)11)8-6-4-3-5-7-8;/h8-9H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyBKAPDQLRUFMPTF-UHFFFAOYSA-M
XLogP-0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl(trimethyl)azanium;fluoroform
CID 158064313
cyclodecyl(trimethyl)azanium chloride
CID 134900881
cyclododecyl(trimethyl)azanium bromide
CID 175020477
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
cyclohexyl(triethyl)azanium;hydroiodide
CID 126960224
tetra(cyclodecyl)azanium bromide
CID 139704805
cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide
CID 173457122
cyclohexyl-hydroxy-dimethylazanium perchlorate
CID 16726157
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
cyclohexyl(trimethyl)azanium nitrate
CID 15953491
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(difluoromethyl)-dimethylazanium iodide?
The IUPAC name of cyclohexyl-(difluoromethyl)-dimethylazanium iodide (CID 24750838) is cyclohexyl-(difluoromethyl)-dimethylazanium iodide.
What is the SMILES notation for cyclohexyl-(difluoromethyl)-dimethylazanium iodide?
The canonical SMILES for cyclohexyl-(difluoromethyl)-dimethylazanium iodide is C[N+](C)(C(F)F)C1CCCCC1.[I-].
What is the InChIKey of cyclohexyl-(difluoromethyl)-dimethylazanium iodide?
The InChIKey is BKAPDQLRUFMPTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18F2N.HI/c1-12(2,9(10)11)8-6-4-3-5-7-8;/h8-9H,3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of cyclohexyl-(difluoromethyl)-dimethylazanium iodide?
cyclohexyl-(difluoromethyl)-dimethylazanium iodide has a molecular weight of 305.15 g/mol, XLogP of -0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(difluoromethyl)-dimethylazanium iodide is sourced from PubChem (CID 24750838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).