2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane

C6H10F4O3 — CID 172816693

IUPAC2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
SMILESFC(F)COCOCOCC(F)F
InChIInChI=1S/C6H10F4O3/c7-5(8)1-11-3-13-4-12-2-6(9)10/h5-6H,1-4H2
InChIKeySXBZLEBUXKKGBT-UHFFFAOYSA-N
MW206.13 g/mol
LogP1.48
Rot. Bonds8

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

2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane (PubChem CID 172816693) has the molecular formula C6H10F4O3 and a molecular weight of 206.13 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
PubChem CID172816693
Molecular FormulaC6H10F4O3
Molecular Weight206.13 g/mol
Exact Mass206.06
IUPAC Name2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
SMILESFC(F)COCOCOCC(F)F
InChIInChI=1S/C6H10F4O3/c7-5(8)1-11-3-13-4-12-2-6(9)10/h5-6H,1-4H2
InChIKeySXBZLEBUXKKGBT-UHFFFAOYSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
2,2-difluoroethoxymethanamine
CID 162615781
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
2-(2,2-difluoroethoxy)acetonitrile
CID 82006298
4-(2,2-difluoroethoxy)butanimidamide
CID 82004482
3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
CID 126707171
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
4-(2,2-difluoroethoxy)butane-1-thiol
CID 82010283
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
2-(2,2-difluoroethoxymethyl)-3,3,3-trifluoropropanethioamide
CID 103369179
1-cyclohexyl-2-(2,2-difluoroethoxy)ethanamine
CID 104749696

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane?
The IUPAC name of 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane (CID 172816693) is 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane.
What is the SMILES notation for 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane?
The canonical SMILES for 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane is FC(F)COCOCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane?
The InChIKey is SXBZLEBUXKKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O3/c7-5(8)1-11-3-13-4-12-2-6(9)10/h5-6H,1-4H2.
What are the key properties of 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane?
2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane has a molecular weight of 206.13 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane is sourced from PubChem (CID 172816693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).