1,1-difluoro-3,3-dimethoxypropa-1,2-diene

C5H6F2O2 — CID 102189622

IUPAC1,1-difluoro-3,3-dimethoxypropa-1,2-diene
SMILESCOC(=C=C(F)F)OC
InChIInChI=1S/C5H6F2O2/c1-8-5(9-2)3-4(6)7/h1-2H3
InChIKeyCNRSPFCVPDOBQE-UHFFFAOYSA-N
MW136.10 g/mol
LogP1.50
Rot. Bonds2

About 1,1-difluoro-3,3-dimethoxypropa-1,2-diene

1,1-difluoro-3,3-dimethoxypropa-1,2-diene (PubChem CID 102189622) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is 1,1-difluoro-3,3-dimethoxypropa-1,2-diene.

Molecular Properties

Compound Name1,1-difluoro-3,3-dimethoxypropa-1,2-diene
PubChem CID102189622
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name1,1-difluoro-3,3-dimethoxypropa-1,2-diene
SMILESCOC(=C=C(F)F)OC
InChIInChI=1S/C5H6F2O2/c1-8-5(9-2)3-4(6)7/h1-2H3
InChIKeyCNRSPFCVPDOBQE-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Igljuzmxpfbpky-uhfffaoysa-
CID 23264273
1,1,2-Trifluoro-2-(methoxymethoxy)ethene
CID 21915927
1,1-Difluoro-2,2-dimethoxyethene
CID 22247260
(Z)-1-(difluoromethoxy)-1-fluoro-2-methoxy-2-(trifluoromethoxy)ethene
CID 88591870
(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene
CID 89357376
1-(2,2-Difluoro-1-methoxyethenoxy)-2,2-difluoro-1-methoxyethene
CID 175138876

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3,3-dimethoxypropa-1,2-diene?
The IUPAC name of 1,1-difluoro-3,3-dimethoxypropa-1,2-diene (CID 102189622) is 1,1-difluoro-3,3-dimethoxypropa-1,2-diene.
What is the SMILES notation for 1,1-difluoro-3,3-dimethoxypropa-1,2-diene?
The canonical SMILES for 1,1-difluoro-3,3-dimethoxypropa-1,2-diene is COC(=C=C(F)F)OC.
What is the InChIKey of 1,1-difluoro-3,3-dimethoxypropa-1,2-diene?
The InChIKey is CNRSPFCVPDOBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c1-8-5(9-2)3-4(6)7/h1-2H3.
What are the key properties of 1,1-difluoro-3,3-dimethoxypropa-1,2-diene?
1,1-difluoro-3,3-dimethoxypropa-1,2-diene has a molecular weight of 136.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3,3-dimethoxypropa-1,2-diene is sourced from PubChem (CID 102189622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).