(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol

C11H17F3O2 — CID 134592586

IUPAC(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol
SMILESC=C(C)/C(=C\CC(C)OCC(F)(F)F)CO
InChIInChI=1S/C11H17F3O2/c1-8(2)10(6-15)5-4-9(3)16-7-11(12,13)14/h5,9,15H,1,4,6-7H2,2-3H3/b10-5-
InChIKeyOZVJKQHFDMAFMU-YHYXMXQVSA-N
MW238.25 g/mol
LogP2.84
Rot. Bonds6

About (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol

(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol (PubChem CID 134592586) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol
PubChem CID134592586
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol
SMILESC=C(C)/C(=C\CC(C)OCC(F)(F)F)CO
InChIInChI=1S/C11H17F3O2/c1-8(2)10(6-15)5-4-9(3)16-7-11(12,13)14/h5,9,15H,1,4,6-7H2,2-3H3/b10-5-
InChIKeyOZVJKQHFDMAFMU-YHYXMXQVSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol?
The IUPAC name of (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol (CID 134592586) is (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol.
What is the SMILES notation for (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol?
The canonical SMILES for (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol is C=C(C)/C(=C\CC(C)OCC(F)(F)F)CO.
What is the InChIKey of (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol?
The InChIKey is OZVJKQHFDMAFMU-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-8(2)10(6-15)5-4-9(3)16-7-11(12,13)14/h5,9,15H,1,4,6-7H2,2-3H3/b10-5-.
What are the key properties of (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol?
(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol has a molecular weight of 238.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol is sourced from PubChem (CID 134592586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).