ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene

C9H15F3 — CID 144657278

IUPACethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
SMILESC/C=C\C(=C/C)C(F)(F)F.CC
InChIInChI=1S/C7H9F3.C2H6/c1-3-5-6(4-2)7(8,9)10;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4+;
InChIKeyACQXUPLJRLYEPL-HQWJOSOMSA-N
MW180.21 g/mol
LogP4.10
Rot. Bonds1

About ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene

ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene (PubChem CID 144657278) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Nameethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
PubChem CID144657278
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Nameethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
SMILESC/C=C\C(=C/C)C(F)(F)F.CC
InChIInChI=1S/C7H9F3.C2H6/c1-3-5-6(4-2)7(8,9)10;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4+;
InChIKeyACQXUPLJRLYEPL-HQWJOSOMSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 54.10
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,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
3-(trifluoromethyl)octa-2,4-diene
CID 123687323
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
CID 162732262
(2Z,4E)-1,1,1-trifluoro-4-(trifluoromethyl)hexa-2,4-dien-2-ol
CID 134221847
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
CID 163785608
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 126629591

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene (CID 144657278) is ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene is C/C=C\C(=C/C)C(F)(F)F.CC.
What is the InChIKey of ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene?
The InChIKey is ACQXUPLJRLYEPL-HQWJOSOMSA-N. The full InChI is InChI=1S/C7H9F3.C2H6/c1-3-5-6(4-2)7(8,9)10;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4+;.
What are the key properties of ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene?
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene has a molecular weight of 180.21 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 144657278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).