(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene

C8H11F3 — CID 142114601

IUPAC(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
SMILESC/C=C\C=C(\C)CC(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-4-5-7(2)6-8(9,10)11/h3-5H,6H2,1-2H3/b4-3-,7-5-
InChIKeyIXTICNCMYGZASR-MRWCJKGFSA-N
MW164.17 g/mol
LogP3.46
Rot. Bonds2

About (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene

(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene (PubChem CID 142114601) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
PubChem CID142114601
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
SMILESC/C=C\C=C(\C)CC(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-4-5-7(2)6-8(9,10)11/h3-5H,6H2,1-2H3/b4-3-,7-5-
InChIKeyIXTICNCMYGZASR-MRWCJKGFSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.46
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

(Z)-8,8,8-trifluoro-3-methyl-6-methylideneoct-2-ene
CID 156532361
N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine
CID 167138679
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
CID 142166424
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
CID 145290933
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene (CID 142114601) is (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene is C/C=C\C=C(\C)CC(F)(F)F.
What is the InChIKey of (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene?
The InChIKey is IXTICNCMYGZASR-MRWCJKGFSA-N. The full InChI is InChI=1S/C8H11F3/c1-3-4-5-7(2)6-8(9,10)11/h3-5H,6H2,1-2H3/b4-3-,7-5-.
What are the key properties of (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene?
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene has a molecular weight of 164.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene is sourced from PubChem (CID 142114601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).