2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane

C5H8F4O2 — CID 58616347

IUPAC2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane
SMILESFC(F)COCOCC(F)F
InChIInChI=1S/C5H8F4O2/c6-4(7)1-10-3-11-2-5(8)9/h4-5H,1-3H2
InChIKeyANMVFHQWJZZMKU-UHFFFAOYSA-N
MW176.11 g/mol
LogP1.51
Rot. Bonds6

About 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane

2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane (PubChem CID 58616347) has the molecular formula C5H8F4O2 and a molecular weight of 176.11 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane
PubChem CID58616347
Molecular FormulaC5H8F4O2
Molecular Weight176.11 g/mol
Exact Mass176.05
IUPAC Name2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane
SMILESFC(F)COCOCC(F)F
InChIInChI=1S/C5H8F4O2/c6-4(7)1-10-3-11-2-5(8)9/h4-5H,1-3H2
InChIKeyANMVFHQWJZZMKU-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.11
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethane, 1,1-diethoxy-2,2,2-trifluoro-
CID 207952
Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
1,1,1-Trifluoro-2-[(2-methoxyethoxy)methoxy]ethane
CID 10976236
Bis(2-fluoroethoxy)methane
CID 88850796
1,1,2,2,8,8,9,9-Octafluoro-4,6-dioxanonane
CID 12839497
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
1,1,1-Trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 87694334
1-Fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane
CID 91374954
2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
1,1-Diethoxy-2,2-difluoroethane
CID 85792662
1,1-Dimethoxy-2,2,3,3-tetrafluoropropane
CID 129745238

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane?
The IUPAC name of 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane (CID 58616347) is 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane.
What is the SMILES notation for 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane?
The canonical SMILES for 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane is FC(F)COCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane?
The InChIKey is ANMVFHQWJZZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O2/c6-4(7)1-10-3-11-2-5(8)9/h4-5H,1-3H2.
What are the key properties of 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane?
2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane has a molecular weight of 176.11 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethoxy)-1,1-difluoroethane is sourced from PubChem (CID 58616347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).