(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine

C11H18F3N — CID 130413491

IUPAC(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
SMILESC=C/C(CC)=C(/CCC)NCC(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-7-10(9(5-2)6-3)15-8-11(12,13)14/h5,15H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyWFLHSUKLPZPLIK-MDZDMXLPSA-N
MW221.27 g/mol
LogP3.79
Rot. Bonds6

About (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine

(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine (PubChem CID 130413491) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine.

Molecular Properties

Compound Name(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
PubChem CID130413491
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
SMILESC=C/C(CC)=C(/CCC)NCC(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-7-10(9(5-2)6-3)15-8-11(12,13)14/h5,15H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyWFLHSUKLPZPLIK-MDZDMXLPSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.79
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 (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine?
The IUPAC name of (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine (CID 130413491) is (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine.
What is the SMILES notation for (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine?
The canonical SMILES for (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine is C=C/C(CC)=C(/CCC)NCC(F)(F)F.
What is the InChIKey of (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine?
The InChIKey is WFLHSUKLPZPLIK-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18F3N/c1-4-7-10(9(5-2)6-3)15-8-11(12,13)14/h5,15H,2,4,6-8H2,1,3H3/b10-9+.
What are the key properties of (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine?
(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine has a molecular weight of 221.27 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine is sourced from PubChem (CID 130413491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).