[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium

C8H16F3N2+ — CID 102371094

IUPAC[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium
SMILESCN(C)C/C(=C\[NH+](C)C)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h5H,6H2,1-4H3/p+1/b7-5+
InChIKeyUBGDQNYIVMCUEF-FNORWQNLSA-O
MW197.22 g/mol
LogP0.14
Rot. Bonds3

About [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium

[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium (PubChem CID 102371094) has the molecular formula C8H16F3N2+ and a molecular weight of 197.22 g/mol. Its IUPAC name is [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium.

Molecular Properties

Compound Name[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium
PubChem CID102371094
Molecular FormulaC8H16F3N2+
Molecular Weight197.22 g/mol
Exact Mass197.13
IUPAC Name[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium
SMILESCN(C)C/C(=C\[NH+](C)C)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h5H,6H2,1-4H3/p+1/b7-5+
InChIKeyUBGDQNYIVMCUEF-FNORWQNLSA-O
XLogP0.14
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
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N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
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(E)-3-(trifluoromethyl)hex-2-ene
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methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate
CID 162574276
ethane;(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine
CID 171096526
(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one
CID 91801576
3-(dimethylamino)prop-1-ene-1,2-diol
CID 89182379
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,5-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium?
The IUPAC name of [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium (CID 102371094) is [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium.
What is the SMILES notation for [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium?
The canonical SMILES for [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium is CN(C)C/C(=C\[NH+](C)C)C(F)(F)F.
What is the InChIKey of [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium?
The InChIKey is UBGDQNYIVMCUEF-FNORWQNLSA-O. The full InChI is InChI=1S/C8H15F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h5H,6H2,1-4H3/p+1/b7-5+.
What are the key properties of [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium?
[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium has a molecular weight of 197.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium is sourced from PubChem (CID 102371094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).