(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol

C8H9F3O — CID 88563032

IUPAC(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C/CC(F)(F)F
InChIInChI=1S/C8H9F3O/c1-2-4-7(12)5-3-6-8(9,10)11/h2-5,12H,1,6H2/b5-3-,7-4+
InChIKeyFEBUXCJNPDLPLS-XKSOLRDRSA-N
MW178.15 g/mol
LogP3.12
Rot. Bonds3

About (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol

(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol (PubChem CID 88563032) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
PubChem CID88563032
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C/CC(F)(F)F
InChIInChI=1S/C8H9F3O/c1-2-4-7(12)5-3-6-8(9,10)11/h2-5,12H,1,6H2/b5-3-,7-4+
InChIKeyFEBUXCJNPDLPLS-XKSOLRDRSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
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

(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
5,5,5-trifluoropent-2-enamide
CID 154272221
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
CID 142112959
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
5-[(Z,3Z)-7,7,7-trifluoro-3-prop-2-enylidenehept-4-enyl]-1,3,4-thiadiazol-2-amine
CID 122483328
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
CID 143407155
(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
CID 166907287
(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
CID 162510008
(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol
CID 126727970
methyl 2-methylprop-2-enoate;5,5,5-trifluoropent-2-enoic acid
CID 87690225

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol?
The IUPAC name of (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol (CID 88563032) is (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol.
What is the SMILES notation for (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol?
The canonical SMILES for (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol is C=C/C=C(O)\C=C/CC(F)(F)F.
What is the InChIKey of (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol?
The InChIKey is FEBUXCJNPDLPLS-XKSOLRDRSA-N. The full InChI is InChI=1S/C8H9F3O/c1-2-4-7(12)5-3-6-8(9,10)11/h2-5,12H,1,6H2/b5-3-,7-4+.
What are the key properties of (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol?
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol has a molecular weight of 178.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol is sourced from PubChem (CID 88563032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).