trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide

C6H11F3IN — CID 85291558

IUPACtrimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide
SMILESC[N+](C)(C)C=C(F)C(F)F.[I-]
InChIInChI=1S/C6H11F3N.HI/c1-10(2,3)4-5(7)6(8)9;/h4,6H,1-3H3;1H/q+1;/p-1
InChIKeyRSBNWDPLRTVKRZ-UHFFFAOYSA-M
MW281.06 g/mol
LogP-1.23
Rot. Bonds2

About trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide

trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide (PubChem CID 85291558) has the molecular formula C6H11F3IN and a molecular weight of 281.06 g/mol. Its IUPAC name is trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide
PubChem CID85291558
Molecular FormulaC6H11F3IN
Molecular Weight281.06 g/mol
Exact Mass280.99
IUPAC Nametrimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide
SMILESC[N+](C)(C)C=C(F)C(F)F.[I-]
InChIInChI=1S/C6H11F3N.HI/c1-10(2,3)4-5(7)6(8)9;/h4,6H,1-3H3;1H/q+1;/p-1
InChIKeyRSBNWDPLRTVKRZ-UHFFFAOYSA-M
XLogP-1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 5-1.23
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'}

Analyze trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]azanium iodide
CID 9839254
(Z)-2,3,3,3-tetrafluoro-N,N-dimethylprop-1-en-1-amine
CID 11073673
(2,3,3-Trifluoro-1-propenyl)trimethylaminium
CID 10945866
Trimethyl(2,3,3-trifluoroprop-1-enyl)azanium
CID 54396200
(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine
CID 123750010
(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine
CID 126720227
N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine
CID 159386895
N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 160887286
3,3-difluoro-N,N-dimethylprop-1-en-1-amine
CID 173037848
trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide
CID 10945865
trimethyl-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]azanium
CID 9839255
trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium
CID 10858914

Frequently Asked Questions

What is the IUPAC name of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide?
The IUPAC name of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide (CID 85291558) is trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide.
What is the SMILES notation for trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide?
The canonical SMILES for trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide is C[N+](C)(C)C=C(F)C(F)F.[I-].
What is the InChIKey of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide?
The InChIKey is RSBNWDPLRTVKRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11F3N.HI/c1-10(2,3)4-5(7)6(8)9;/h4,6H,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide?
trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide has a molecular weight of 281.06 g/mol, XLogP of -1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,3,3-trifluoroprop-1-enyl)azanium iodide is sourced from PubChem (CID 85291558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).