(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol

C8H12F2O2 — CID 165394093

IUPAC(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol
SMILESC=C(/C=C(\C)O)OCC(C)(F)F
InChIInChI=1S/C8H12F2O2/c1-6(11)4-7(2)12-5-8(3,9)10/h4,11H,2,5H2,1,3H3/b6-4+
InChIKeyIDOXMYDIZLMWOH-GQCTYLIASA-N
MW178.18 g/mol
LogP2.63
Rot. Bonds4

About (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol

(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol (PubChem CID 165394093) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol
PubChem CID165394093
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol
SMILESC=C(/C=C(\C)O)OCC(C)(F)F
InChIInChI=1S/C8H12F2O2/c1-6(11)4-7(2)12-5-8(3,9)10/h4,11H,2,5H2,1,3H3/b6-4+
InChIKeyIDOXMYDIZLMWOH-GQCTYLIASA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.63
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 (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol?
The IUPAC name of (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol (CID 165394093) is (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol.
What is the SMILES notation for (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol?
The canonical SMILES for (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol is C=C(/C=C(\C)O)OCC(C)(F)F.
What is the InChIKey of (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol?
The InChIKey is IDOXMYDIZLMWOH-GQCTYLIASA-N. The full InChI is InChI=1S/C8H12F2O2/c1-6(11)4-7(2)12-5-8(3,9)10/h4,11H,2,5H2,1,3H3/b6-4+.
What are the key properties of (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol?
(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol has a molecular weight of 178.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol is sourced from PubChem (CID 165394093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).