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

C8H13F3N2 — CID 122490949

IUPAC(Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
SMILESCC/N=C/C(=C/N(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-BZNMCICSSA-N
MW194.20 g/mol
LogP2.08
Rot. Bonds3

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

(Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine (PubChem CID 122490949) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
PubChem CID122490949
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
SMILESCC/N=C/C(=C/N(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-BZNMCICSSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine (CID 122490949) is (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine is CC/N=C/C(=C/N(C)C)C(F)(F)F.
What is the InChIKey of (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
The InChIKey is ANUAYRCQHNNRAV-BZNMCICSSA-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 (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine?
(Z)-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 (Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 122490949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).