(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene

C8H11F3O — CID 156533724

IUPAC(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
SMILESC/C=C\C(=C/CC)OC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-5-7(6-4-2)12-8(9,10)11/h3,5-6H,4H2,1-2H3/b5-3-,7-6+
InChIKeyFDCJGRMFPLOFNK-AIJKMKQJSA-N
MW180.17 g/mol
LogP3.39
Rot. Bonds3

About (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene

(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene (PubChem CID 156533724) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
PubChem CID156533724
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
SMILESC/C=C\C(=C/CC)OC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-5-7(6-4-2)12-8(9,10)11/h3,5-6H,4H2,1-2H3/b5-3-,7-6+
InChIKeyFDCJGRMFPLOFNK-AIJKMKQJSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxycyclobutane
CID 143682718
4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium
CID 123791080
(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene
CID 178040675
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
CID 144630019
(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene
CID 89265303
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
4-ethynylhepta-2,4-diene
CID 90938785

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene (CID 156533724) is (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene is C/C=C\C(=C/CC)OC(F)(F)F.
What is the InChIKey of (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene?
The InChIKey is FDCJGRMFPLOFNK-AIJKMKQJSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-5-7(6-4-2)12-8(9,10)11/h3,5-6H,4H2,1-2H3/b5-3-,7-6+.
What are the key properties of (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene?
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene has a molecular weight of 180.17 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene is sourced from PubChem (CID 156533724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).