(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol

C11H18F2O2 — CID 89416552

IUPAC(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol
SMILESC/C=C(\C=C/C(C)OCC(C)(F)F)CO
InChIInChI=1S/C11H18F2O2/c1-4-10(7-14)6-5-9(2)15-8-11(3,12)13/h4-6,9,14H,7-8H2,1-3H3/b6-5-,10-4+
InChIKeyIFBIIHAZUZUHRV-QYONPMAVSA-N
MW220.26 g/mol
LogP2.54
Rot. Bonds6

About (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol

(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol (PubChem CID 89416552) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol.

Molecular Properties

Compound Name(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol
PubChem CID89416552
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol
SMILESC/C=C(\C=C/C(C)OCC(C)(F)F)CO
InChIInChI=1S/C11H18F2O2/c1-4-10(7-14)6-5-9(2)15-8-11(3,12)13/h4-6,9,14H,7-8H2,1-3H3/b6-5-,10-4+
InChIKeyIFBIIHAZUZUHRV-QYONPMAVSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.54
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 (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol?
The IUPAC name of (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol (CID 89416552) is (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol.
What is the SMILES notation for (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol?
The canonical SMILES for (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol is C/C=C(\C=C/C(C)OCC(C)(F)F)CO.
What is the InChIKey of (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol?
The InChIKey is IFBIIHAZUZUHRV-QYONPMAVSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-4-10(7-14)6-5-9(2)15-8-11(3,12)13/h4-6,9,14H,7-8H2,1-3H3/b6-5-,10-4+.
What are the key properties of (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol?
(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol has a molecular weight of 220.26 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol is sourced from PubChem (CID 89416552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).