3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide

C8H14F6IN — CID 121234441

IUPAC3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCC(F)(F)C(F)C(F)(F)F.[I-]
InChIInChI=1S/C8H14F6N.HI/c1-15(2,3)5-4-7(10,11)6(9)8(12,13)14;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyKPOGQYVLOWDLKH-UHFFFAOYSA-M
MW365.10 g/mol
LogP-0.38
Rot. Bonds4

About 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide

3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide (PubChem CID 121234441) has the molecular formula C8H14F6IN and a molecular weight of 365.10 g/mol. Its IUPAC name is 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide
PubChem CID121234441
Molecular FormulaC8H14F6IN
Molecular Weight365.10 g/mol
Exact Mass365.01
IUPAC Name3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCC(F)(F)C(F)C(F)(F)F.[I-]
InChIInChI=1S/C8H14F6N.HI/c1-15(2,3)5-4-7(10,11)6(9)8(12,13)14;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyKPOGQYVLOWDLKH-UHFFFAOYSA-M
XLogP-0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide?
The IUPAC name of 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide (CID 121234441) is 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide.
What is the SMILES notation for 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide?
The canonical SMILES for 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide is C[N+](C)(C)CCC(F)(F)C(F)C(F)(F)F.[I-].
What is the InChIKey of 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide?
The InChIKey is KPOGQYVLOWDLKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14F6N.HI/c1-15(2,3)5-4-7(10,11)6(9)8(12,13)14;/h6H,4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide?
3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide has a molecular weight of 365.10 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide is sourced from PubChem (CID 121234441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).