2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine

C8H13F3N2 — CID 123799783

IUPAC2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
SMILESCC/N=C/C(=CN(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-4-12-5-7(6-13(2)3)8(9,10)11/h5-6H,4H2,1-3H3/b7-6?,12-5+
InChIKeyANUAYRCQHNNRAV-KSWIDWDYSA-N
MW194.20 g/mol
LogP2.08
Rot. Bonds3

About 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine

2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine (PubChem CID 123799783) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
PubChem CID123799783
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
SMILESCC/N=C/C(=CN(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-4-12-5-7(6-13(2)3)8(9,10)11/h5-6H,4H2,1-3H3/b7-6?,12-5+
InChIKeyANUAYRCQHNNRAV-KSWIDWDYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
CID 85377738
(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 155001350
N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine
CID 123984446
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
4-ethylimino-1,1,1-trifluoro-3-phenylbut-2-en-2-amine
CID 174037599
(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride
CID 177424465
(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine
CID 141113523
(Z)-4-(dimethylamino)-1,1,1-trifluoro-3-iodobut-3-en-2-one
CID 134996148
N-ethylmethanimidoyl fluoride
CID 145275129
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463

Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine (CID 123799783) is 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine is CC/N=C/C(=CN(C)C)C(F)(F)F.
What is the InChIKey of 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
The InChIKey is ANUAYRCQHNNRAV-KSWIDWDYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-4-12-5-7(6-13(2)3)8(9,10)11/h5-6H,4H2,1-3H3/b7-6?,12-5+.
What are the key properties of 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine has a molecular weight of 194.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 123799783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).