4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol

C10H16F2O4 — CID 10705071

IUPAC4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol
SMILESC=CC(O)C(F)(F)C(=C)OCOCCOC
InChIInChI=1S/C10H16F2O4/c1-4-9(13)10(11,12)8(2)16-7-15-6-5-14-3/h4,9,13H,1-2,5-7H2,3H3
InChIKeyIMBXEKKNJQRQQZ-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.32
Rot. Bonds9

About 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol

4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol (PubChem CID 10705071) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol
PubChem CID10705071
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Name4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol
SMILESC=CC(O)C(F)(F)C(=C)OCOCCOC
InChIInChI=1S/C10H16F2O4/c1-4-9(13)10(11,12)8(2)16-7-15-6-5-14-3/h4,9,13H,1-2,5-7H2,3H3
InChIKeyIMBXEKKNJQRQQZ-UHFFFAOYSA-N
XLogP1.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol?
The IUPAC name of 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol (CID 10705071) is 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol.
What is the SMILES notation for 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol?
The canonical SMILES for 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol is C=CC(O)C(F)(F)C(=C)OCOCCOC.
What is the InChIKey of 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol?
The InChIKey is IMBXEKKNJQRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-4-9(13)10(11,12)8(2)16-7-15-6-5-14-3/h4,9,13H,1-2,5-7H2,3H3.
What are the key properties of 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol?
4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol has a molecular weight of 238.23 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol is sourced from PubChem (CID 10705071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).