trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide

C6H11F5IN — CID 15105657

IUPACtrimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide
SMILESC[N+](C)(C)CC(F)(F)C(F)(F)F.[I-]
InChIInChI=1S/C6H11F5N.HI/c1-12(2,3)4-5(7,8)6(9,10)11;/h4H2,1-3H3;1H/q+1;/p-1
InChIKeyBKXBJXRCEONDTL-UHFFFAOYSA-M
MW319.06 g/mol
LogP-1.11
Rot. Bonds2

About trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide

trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide (PubChem CID 15105657) has the molecular formula C6H11F5IN and a molecular weight of 319.06 g/mol. Its IUPAC name is trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide
PubChem CID15105657
Molecular FormulaC6H11F5IN
Molecular Weight319.06 g/mol
Exact Mass318.99
IUPAC Nametrimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide
SMILESC[N+](C)(C)CC(F)(F)C(F)(F)F.[I-]
InChIInChI=1S/C6H11F5N.HI/c1-12(2,3)4-5(7,8)6(9,10)11;/h4H2,1-3H3;1H/q+1;/p-1
InChIKeyBKXBJXRCEONDTL-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.06
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide?
The IUPAC name of trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide (CID 15105657) is trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide.
What is the SMILES notation for trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide?
The canonical SMILES for trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide is C[N+](C)(C)CC(F)(F)C(F)(F)F.[I-].
What is the InChIKey of trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide?
The InChIKey is BKXBJXRCEONDTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11F5N.HI/c1-12(2,3)4-5(7,8)6(9,10)11;/h4H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide?
trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide has a molecular weight of 319.06 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide is sourced from PubChem (CID 15105657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).