(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine

C11H17F3N2 — CID 154953411

IUPAC(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine
SMILESC=C/C=C(\C)N(C)/C(=C\NCC)C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-5-7-9(3)16(4)10(8-15-6-2)11(12,13)14/h5,7-8,15H,1,6H2,2-4H3/b9-7+,10-8-
InChIKeyNBADJUYWSSGXJS-ZWOQCJTASA-N
MW234.26 g/mol
LogP3.02
Rot. Bonds5

About (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine

(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine (PubChem CID 154953411) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine
PubChem CID154953411
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine
SMILESC=C/C=C(\C)N(C)/C(=C\NCC)C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-5-7-9(3)16(4)10(8-15-6-2)11(12,13)14/h5,7-8,15H,1,6H2,2-4H3/b9-7+,10-8-
InChIKeyNBADJUYWSSGXJS-ZWOQCJTASA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine (CID 154953411) is (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine is C=C/C=C(\C)N(C)/C(=C\NCC)C(F)(F)F.
What is the InChIKey of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine?
The InChIKey is NBADJUYWSSGXJS-ZWOQCJTASA-N. The full InChI is InChI=1S/C11H17F3N2/c1-5-7-9(3)16(4)10(8-15-6-2)11(12,13)14/h5,7-8,15H,1,6H2,2-4H3/b9-7+,10-8-.
What are the key properties of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine?
(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine has a molecular weight of 234.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methyl-2-N-[(2E)-penta-2,4-dien-2-yl]prop-1-ene-1,2-diamine is sourced from PubChem (CID 154953411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).