(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol

C9H13F3O2 — CID 130445466

IUPAC(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol
SMILESC/C=C(\C=C(/C)OC(F)(F)F)CCO
InChIInChI=1S/C9H13F3O2/c1-3-8(4-5-13)6-7(2)14-9(10,11)12/h3,6,13H,4-5H2,1-2H3/b7-6+,8-3-
InChIKeyNZUVEOMRORHQKF-SENFBNHQSA-N
MW210.19 g/mol
LogP2.76
Rot. Bonds4

About (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol

(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol (PubChem CID 130445466) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol.

Molecular Properties

Compound Name(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol
PubChem CID130445466
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol
SMILESC/C=C(\C=C(/C)OC(F)(F)F)CCO
InChIInChI=1S/C9H13F3O2/c1-3-8(4-5-13)6-7(2)14-9(10,11)12/h3,6,13H,4-5H2,1-2H3/b7-6+,8-3-
InChIKeyNZUVEOMRORHQKF-SENFBNHQSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.76
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,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol?
The IUPAC name of (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol (CID 130445466) is (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol.
What is the SMILES notation for (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol?
The canonical SMILES for (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol is C/C=C(\C=C(/C)OC(F)(F)F)CCO.
What is the InChIKey of (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol?
The InChIKey is NZUVEOMRORHQKF-SENFBNHQSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-3-8(4-5-13)6-7(2)14-9(10,11)12/h3,6,13H,4-5H2,1-2H3/b7-6+,8-3-.
What are the key properties of (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol?
(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol has a molecular weight of 210.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol is sourced from PubChem (CID 130445466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).