trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium

C6H11F3N+ — CID 10858914

IUPACtrimethyl-[(E)-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/b5-4+
InChIKeyVKDANIKFIOCGMH-SNAWJCMRSA-N
MW154.16 g/mol
LogP1.77
Rot. Bonds2

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

trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium (PubChem CID 10858914) has the molecular formula C6H11F3N+ and a molecular weight of 154.16 g/mol. Its IUPAC name is trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium
PubChem CID10858914
Molecular FormulaC6H11F3N+
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Nametrimethyl-[(E)-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/b5-4+
InChIKeyVKDANIKFIOCGMH-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium?
The IUPAC name of trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium (CID 10858914) is trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium.
What is the SMILES notation for trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium?
The canonical SMILES for trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium is C[N+](C)(C)/C=C(/F)C(F)F.
What is the InChIKey of trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium?
The InChIKey is VKDANIKFIOCGMH-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1/b5-4+.
What are the key properties of trimethyl-[(E)-2,3,3-trifluoroprop-1-enyl]azanium?
trimethyl-[(E)-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-[(E)-2,3,3-trifluoroprop-1-enyl]azanium is sourced from PubChem (CID 10858914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).