(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene

C13H19F3 — CID 178040675

IUPAC(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene
SMILESC/C=C\C(=C/C(=C/CC)CC(F)(F)F)CC
InChIInChI=1S/C13H19F3/c1-4-7-11(6-3)9-12(8-5-2)10-13(14,15)16/h4,7-9H,5-6,10H2,1-3H3/b7-4-,11-9-,12-8-
InChIKeyIDKWFJYUUASOBJ-SQKIHRKRSA-N
MW232.29 g/mol
LogP5.19
Rot. Bonds5

About (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene

(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene (PubChem CID 178040675) has the molecular formula C13H19F3 and a molecular weight of 232.29 g/mol. Its IUPAC name is (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene
PubChem CID178040675
Molecular FormulaC13H19F3
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene
SMILESC/C=C\C(=C/C(=C/CC)CC(F)(F)F)CC
InChIInChI=1S/C13H19F3/c1-4-7-11(6-3)9-12(8-5-2)10-13(14,15)16/h4,7-9H,5-6,10H2,1-3H3/b7-4-,11-9-,12-8-
InChIKeyIDKWFJYUUASOBJ-SQKIHRKRSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.29
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene
CID 143337028
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)hex-3-ene
CID 146174874
(Z,4Z,7Z,8Z)-7,8-di(ethylidene)-6-methyl-4-propylideneundec-2-ene
CID 142130429
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
CID 144719096
fermium;(Z)-2-(oxomethylamino)-4-[(Z)-prop-1-enyl]hept-4-enoic acid
CID 168915507
1,1,1-trifluorohex-3-en-3-ylphosphonic acid
CID 123754543

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene (CID 178040675) is (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene is C/C=C\C(=C/C(=C/CC)CC(F)(F)F)CC.
What is the InChIKey of (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene?
The InChIKey is IDKWFJYUUASOBJ-SQKIHRKRSA-N. The full InChI is InChI=1S/C13H19F3/c1-4-7-11(6-3)9-12(8-5-2)10-13(14,15)16/h4,7-9H,5-6,10H2,1-3H3/b7-4-,11-9-,12-8-.
What are the key properties of (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene?
(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene has a molecular weight of 232.29 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene is sourced from PubChem (CID 178040675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).