(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene

C8H11F3O — CID 88746907

IUPAC(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene
SMILESC=CC/C=C(\OCC)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-5-6-7(12-4-2)8(9,10)11/h3,6H,1,4-5H2,2H3/b7-6-
InChIKeyPKUYTXSSSLGVLQ-SREVYHEPSA-N
MW180.17 g/mol
LogP3.05
Rot. Bonds4

About (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene

(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene (PubChem CID 88746907) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene
PubChem CID88746907
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene
SMILESC=CC/C=C(\OCC)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-5-6-7(12-4-2)8(9,10)11/h3,6H,1,4-5H2,2H3/b7-6-
InChIKeyPKUYTXSSSLGVLQ-SREVYHEPSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
[(E)-1-deuterio-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10658256
2,2-dimethylhepta-3,6-dien-3-yl acetate
CID 91999737
(1E,4Z)-5-ethoxy-6,6,6-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)hexa-1,4-dien-3-ol
CID 10523946
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
ethyl 2-acetyl-2-fluoropent-4-enoate
CID 15372207
ethyl 2,2-difluoro-3-prop-2-enoxypropanoate
CID 165466610
ethyl 2-fluoro-2-phosphanylbut-3-enoate
CID 126490595
(E)-2-ethoxy-3,3,4,4,4-pentafluoro-1-methylsulfanylbut-1-ene
CID 100949764
ethyl 2-(trifluoromethyl)pent-2-enoate
CID 141220106
2-ethoxy-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 89119634
ethyl (2E)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienoate
CID 134983172

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene?
The IUPAC name of (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene (CID 88746907) is (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene.
What is the SMILES notation for (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene?
The canonical SMILES for (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene is C=CC/C=C(\OCC)C(F)(F)F.
What is the InChIKey of (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene?
The InChIKey is PKUYTXSSSLGVLQ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-5-6-7(12-4-2)8(9,10)11/h3,6H,1,4-5H2,2H3/b7-6-.
What are the key properties of (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene?
(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene has a molecular weight of 180.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene is sourced from PubChem (CID 88746907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).