[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium

C8H14F3N2+ — CID 141498221

IUPAC[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
SMILESC=C(C(NCC)=[N+](C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5-12-7(13(3)4)6(2)8(9,10)11/h2,5H2,1,3-4H3/p+1
InChIKeyMBLJBDPBVPSVIP-UHFFFAOYSA-O
MW195.21 g/mol
LogP1.38
Rot. Bonds2

About [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium

[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium (PubChem CID 141498221) has the molecular formula C8H14F3N2+ and a molecular weight of 195.21 g/mol. Its IUPAC name is [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
PubChem CID141498221
Molecular FormulaC8H14F3N2+
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
SMILESC=C(C(NCC)=[N+](C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5-12-7(13(3)4)6(2)8(9,10)11/h2,5H2,1,3-4H3/p+1
InChIKeyMBLJBDPBVPSVIP-UHFFFAOYSA-O
XLogP1.38
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium (CID 141498221) is [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium is C=C(C(NCC)=[N+](C)C)C(F)(F)F.
What is the InChIKey of [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
The InChIKey is MBLJBDPBVPSVIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13F3N2/c1-5-12-7(13(3)4)6(2)8(9,10)11/h2,5H2,1,3-4H3/p+1.
What are the key properties of [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium has a molecular weight of 195.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 141498221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).