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

C6H9F5N+ — CID 13041984

IUPACtrimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium
SMILESC[N+](C)(C)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H9F5N/c1-12(2,3)6(10,11)4(7)5(8)9/h1-3H3/q+1
InChIKeySRKBYXDWSMNGBF-UHFFFAOYSA-N
MW190.13 g/mol
LogP2.36
Rot. Bonds2

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

trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium (PubChem CID 13041984) has the molecular formula C6H9F5N+ and a molecular weight of 190.13 g/mol. Its IUPAC name is trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium
PubChem CID13041984
Molecular FormulaC6H9F5N+
Molecular Weight190.13 g/mol
Exact Mass190.06
IUPAC Nametrimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium
SMILESC[N+](C)(C)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H9F5N/c1-12(2,3)6(10,11)4(7)5(8)9/h1-3H3/q+1
InChIKeySRKBYXDWSMNGBF-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium?
The IUPAC name of trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium (CID 13041984) is trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium.
What is the SMILES notation for trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium?
The canonical SMILES for trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium is C[N+](C)(C)C(F)(F)C(F)=C(F)F.
What is the InChIKey of trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium?
The InChIKey is SRKBYXDWSMNGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5N/c1-12(2,3)6(10,11)4(7)5(8)9/h1-3H3/q+1.
What are the key properties of trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium?
trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium has a molecular weight of 190.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium is sourced from PubChem (CID 13041984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).