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

C6H11F3N+ — CID 54396200

IUPACtrimethyl(2,3,3-trifluoroprop-1-enyl)azanium
SMILESC[N+](C)(C)C=C(F)C(F)F
InChIInChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1
InChIKeyVKDANIKFIOCGMH-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.77
Rot. Bonds2

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

trimethyl(2,3,3-trifluoroprop-1-enyl)azanium (PubChem CID 54396200) has the molecular formula C6H11F3N+ and a molecular weight of 154.16 g/mol. Its IUPAC name is trimethyl(2,3,3-trifluoroprop-1-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(2,3,3-trifluoroprop-1-enyl)azanium
PubChem CID54396200
Molecular FormulaC6H11F3N+
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Nametrimethyl(2,3,3-trifluoroprop-1-enyl)azanium
SMILESC[N+](C)(C)C=C(F)C(F)F
InChIInChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1
InChIKeyVKDANIKFIOCGMH-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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;iodide
CID 85291558
(Z)-2-fluoro-N,N-dimethylbut-1-en-1-amine
CID 118375855
2-fluoro-N,N-dimethylbut-1-en-1-amine
CID 123418230
(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine
CID 123750010
(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine
CID 126720227
1,2-difluoro-N,N-dimethylprop-2-en-1-amine
CID 129207811
2,2-difluoro-N,N-dimethylethenamine
CID 138659399
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

Frequently Asked Questions

What is the IUPAC name of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium?
The IUPAC name of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium (CID 54396200) is trimethyl(2,3,3-trifluoroprop-1-enyl)azanium.
What is the SMILES notation for trimethyl(2,3,3-trifluoroprop-1-enyl)azanium?
The canonical SMILES for trimethyl(2,3,3-trifluoroprop-1-enyl)azanium is C[N+](C)(C)C=C(F)C(F)F.
What is the InChIKey of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium?
The InChIKey is VKDANIKFIOCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1.
What are the key properties of trimethyl(2,3,3-trifluoroprop-1-enyl)azanium?
trimethyl(2,3,3-trifluoroprop-1-enyl)azanium has a molecular weight of 154.16 g/mol, XLogP of 1.77, 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 is sourced from PubChem (CID 54396200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).