(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol

C12H17F3O — CID 156893332

IUPAC(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C)C(O)(CCC)C(F)(F)F
InChIInChI=1S/C12H17F3O/c1-4-7-8-10(6-3)11(16,9-5-2)12(13,14)15/h4,6-8,16H,1,5,9H2,2-3H3/b8-7-,10-6+
InChIKeyCFHBFRJXFKMNCH-SDHBEMGISA-N
MW234.26 g/mol
LogP3.77
Rot. Bonds5

About (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol

(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol (PubChem CID 156893332) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
PubChem CID156893332
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C)C(O)(CCC)C(F)(F)F
InChIInChI=1S/C12H17F3O/c1-4-7-8-10(6-3)11(16,9-5-2)12(13,14)15/h4,6-8,16H,1,5,9H2,2-3H3/b8-7-,10-6+
InChIKeyCFHBFRJXFKMNCH-SDHBEMGISA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
The IUPAC name of (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol (CID 156893332) is (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol.
What is the SMILES notation for (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
The canonical SMILES for (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol is C=C/C=C\C(=C/C)C(O)(CCC)C(F)(F)F.
What is the InChIKey of (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
The InChIKey is CFHBFRJXFKMNCH-SDHBEMGISA-N. The full InChI is InChI=1S/C12H17F3O/c1-4-7-8-10(6-3)11(16,9-5-2)12(13,14)15/h4,6-8,16H,1,5,9H2,2-3H3/b8-7-,10-6+.
What are the key properties of (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol has a molecular weight of 234.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol is sourced from PubChem (CID 156893332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).