(3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine

C10H14F3N — CID 142106510

IUPAC(3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine
SMILESC=C/C=C\C(=C/C)C(NC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-7-8(5-2)9(14-3)10(11,12)13/h4-7,9,14H,1H2,2-3H3/b7-6-,8-5+
InChIKeyJIMFCYKPFZVLAQ-WNXMRAAYSA-N
MW205.22 g/mol
LogP2.83
Rot. Bonds4

About (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine

(3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine (PubChem CID 142106510) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine
PubChem CID142106510
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine
SMILESC=C/C=C\C(=C/C)C(NC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-7-8(5-2)9(14-3)10(11,12)13/h4-7,9,14H,1H2,2-3H3/b7-6-,8-5+
InChIKeyJIMFCYKPFZVLAQ-WNXMRAAYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine?
The IUPAC name of (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine (CID 142106510) is (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine?
The canonical SMILES for (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine is C=C/C=C\C(=C/C)C(NC)C(F)(F)F.
What is the InChIKey of (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine?
The InChIKey is JIMFCYKPFZVLAQ-WNXMRAAYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-6-7-8(5-2)9(14-3)10(11,12)13/h4-7,9,14H,1H2,2-3H3/b7-6-,8-5+.
What are the key properties of (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine?
(3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine has a molecular weight of 205.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-1,1,1-trifluoro-N-methylhepta-4,6-dien-2-amine is sourced from PubChem (CID 142106510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).