1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene

C12H18F2O4 — CID 10635317

IUPAC1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene
SMILESC=CCOC(C=C)C(OCOCCOC)=C(F)F
InChIInChI=1S/C12H18F2O4/c1-4-6-17-10(5-2)11(12(13)14)18-9-16-8-7-15-3/h4-5,10H,1-2,6-9H2,3H3
InChIKeySENVKTXNFATKLJ-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.49
Rot. Bonds11

About 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene

1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene (PubChem CID 10635317) has the molecular formula C12H18F2O4 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene.

Molecular Properties

Compound Name1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene
PubChem CID10635317
Molecular FormulaC12H18F2O4
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene
SMILESC=CCOC(C=C)C(OCOCCOC)=C(F)F
InChIInChI=1S/C12H18F2O4/c1-4-6-17-10(5-2)11(12(13)14)18-9-16-8-7-15-3/h4-5,10H,1-2,6-9H2,3H3
InChIKeySENVKTXNFATKLJ-UHFFFAOYSA-N
XLogP2.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene?
The IUPAC name of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene (CID 10635317) is 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene.
What is the SMILES notation for 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene?
The canonical SMILES for 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene is C=CCOC(C=C)C(OCOCCOC)=C(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene?
The InChIKey is SENVKTXNFATKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O4/c1-4-6-17-10(5-2)11(12(13)14)18-9-16-8-7-15-3/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene?
1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene has a molecular weight of 264.27 g/mol, XLogP of 2.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene is sourced from PubChem (CID 10635317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).