(E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol

C8H11F3O2 — CID 162587615

IUPAC(E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol
SMILESC/C=C(CO)\C(=C/C)OC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-3-6(5-12)7(4-2)13-8(9,10)11/h3-4,12H,5H2,1-2H3/b6-3-,7-4+
InChIKeySJDLQWAOGCSTSO-UCZKPGLMSA-N
MW196.17 g/mol
LogP2.37
Rot. Bonds3

About (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol

(E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol (PubChem CID 162587615) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol.

Molecular Properties

Compound Name(E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol
PubChem CID162587615
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name(E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol
SMILESC/C=C(CO)\C(=C/C)OC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-3-6(5-12)7(4-2)13-8(9,10)11/h3-4,12H,5H2,1-2H3/b6-3-,7-4+
InChIKeySJDLQWAOGCSTSO-UCZKPGLMSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol?
The IUPAC name of (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol (CID 162587615) is (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol.
What is the SMILES notation for (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol?
The canonical SMILES for (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol is C/C=C(CO)\C(=C/C)OC(F)(F)F.
What is the InChIKey of (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol?
The InChIKey is SJDLQWAOGCSTSO-UCZKPGLMSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-3-6(5-12)7(4-2)13-8(9,10)11/h3-4,12H,5H2,1-2H3/b6-3-,7-4+.
What are the key properties of (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol?
(E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol has a molecular weight of 196.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-ethylidene-3-(trifluoromethoxy)pent-3-en-1-ol is sourced from PubChem (CID 162587615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).