fluoroform;hexyl(trimethyl)azanium

C10H23F3N+ — CID 160600313

IUPACfluoroform;hexyl(trimethyl)azanium
SMILESCCCCCC[N+](C)(C)C.FC(F)F
InChIInChI=1S/C9H22N.CHF3/c1-5-6-7-8-9-10(2,3)4;2-1(3)4/h5-9H2,1-4H3;1H/q+1;
InChIKeyREEJTCXUAYXCAP-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.45
Rot. Bonds5

About fluoroform;hexyl(trimethyl)azanium

fluoroform;hexyl(trimethyl)azanium (PubChem CID 160600313) has the molecular formula C10H23F3N+ and a molecular weight of 214.29 g/mol. Its IUPAC name is fluoroform;hexyl(trimethyl)azanium.

Molecular Properties

Compound Namefluoroform;hexyl(trimethyl)azanium
PubChem CID160600313
Molecular FormulaC10H23F3N+
Molecular Weight214.29 g/mol
Exact Mass214.18
IUPAC Namefluoroform;hexyl(trimethyl)azanium
SMILESCCCCCC[N+](C)(C)C.FC(F)F
InChIInChI=1S/C9H22N.CHF3/c1-5-6-7-8-9-10(2,3)4;2-1(3)4/h5-9H2,1-4H3;1H/q+1;
InChIKeyREEJTCXUAYXCAP-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
hexadecyl(trimethyl)azanium;propane
CID 174976794
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of fluoroform;hexyl(trimethyl)azanium?
The IUPAC name of fluoroform;hexyl(trimethyl)azanium (CID 160600313) is fluoroform;hexyl(trimethyl)azanium.
What is the SMILES notation for fluoroform;hexyl(trimethyl)azanium?
The canonical SMILES for fluoroform;hexyl(trimethyl)azanium is CCCCCC[N+](C)(C)C.FC(F)F.
What is the InChIKey of fluoroform;hexyl(trimethyl)azanium?
The InChIKey is REEJTCXUAYXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.CHF3/c1-5-6-7-8-9-10(2,3)4;2-1(3)4/h5-9H2,1-4H3;1H/q+1;.
What are the key properties of fluoroform;hexyl(trimethyl)azanium?
fluoroform;hexyl(trimethyl)azanium has a molecular weight of 214.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;hexyl(trimethyl)azanium is sourced from PubChem (CID 160600313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).