(E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine

C10H15F3N2 — CID 134316179

IUPAC(E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine
SMILESCCNC/C=C/N=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-14-6-4-7-15-8-5-9(2)10(11,12)13/h4-5,7-8,14H,3,6H2,1-2H3/b7-4+,9-5+,15-8+
InChIKeyHOVYDZMJIIUJNS-IOZVMOFHSA-N
MW220.24 g/mol
LogP2.69
Rot. Bonds5

About (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine

(E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine (PubChem CID 134316179) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine
PubChem CID134316179
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine
SMILESCCNC/C=C/N=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-14-6-4-7-15-8-5-9(2)10(11,12)13/h4-5,7-8,14H,3,6H2,1-2H3/b7-4+,9-5+,15-8+
InChIKeyHOVYDZMJIIUJNS-IOZVMOFHSA-N
XLogP2.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine (CID 134316179) is (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine is CCNC/C=C/N=C/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine?
The InChIKey is HOVYDZMJIIUJNS-IOZVMOFHSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-3-14-6-4-7-15-8-5-9(2)10(11,12)13/h4-5,7-8,14H,3,6H2,1-2H3/b7-4+,9-5+,15-8+.
What are the key properties of (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine?
(E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine has a molecular weight of 220.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-[[(E)-4,4,4-trifluoro-3-methylbut-2-enylidene]amino]prop-2-en-1-amine is sourced from PubChem (CID 134316179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).