2,2,3,3-tetrafluoro-1,4-dimethoxybutane

C6H10F4O2 — CID 58361980

IUPAC2,2,3,3-tetrafluoro-1,4-dimethoxybutane
SMILESCOCC(F)(F)C(F)(F)COC
InChIInChI=1S/C6H10F4O2/c1-11-3-5(7,8)6(9,10)4-12-2/h3-4H2,1-2H3
InChIKeyMWFDZQADYQEPQG-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.55
Rot. Bonds5

About 2,2,3,3-tetrafluoro-1,4-dimethoxybutane

2,2,3,3-tetrafluoro-1,4-dimethoxybutane (PubChem CID 58361980) has the molecular formula C6H10F4O2 and a molecular weight of 190.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1,4-dimethoxybutane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1,4-dimethoxybutane
PubChem CID58361980
Molecular FormulaC6H10F4O2
Molecular Weight190.14 g/mol
Exact Mass190.06
IUPAC Name2,2,3,3-tetrafluoro-1,4-dimethoxybutane
SMILESCOCC(F)(F)C(F)(F)COC
InChIInChI=1S/C6H10F4O2/c1-11-3-5(7,8)6(9,10)4-12-2/h3-4H2,1-2H3
InChIKeyMWFDZQADYQEPQG-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
1,4-Dimethoxyoctafluorobutane
CID 14689852
1-(Difluoromethoxy)butane
CID 23221702
1,1,1,2,2,3,3,4-Octafluoro-4-methoxybutane
CID 14272782
1,1,2,2,3,3,4-Heptafluoro-4-methoxybutane
CID 14272784
1,1,1,2,3,3-Hexafluoro-4-methoxybutane
CID 93885
3-Butoxy-1,1,2,2-tetrafluoropropane
CID 12100157
1-(2,2,3,3,3-Pentafluoropropoxy)butane
CID 18345763
4-Ethoxy-1,1,1,2,3,3-hexafluorobutane
CID 19063461
1,1,2,3,3-Pentafluoro-4-methoxybutane
CID 19063473
4-Ethoxy-1,1,2,3,3-pentafluorobutane
CID 19063483

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1,4-dimethoxybutane?
The IUPAC name of 2,2,3,3-tetrafluoro-1,4-dimethoxybutane (CID 58361980) is 2,2,3,3-tetrafluoro-1,4-dimethoxybutane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1,4-dimethoxybutane?
The canonical SMILES for 2,2,3,3-tetrafluoro-1,4-dimethoxybutane is COCC(F)(F)C(F)(F)COC.
What is the InChIKey of 2,2,3,3-tetrafluoro-1,4-dimethoxybutane?
The InChIKey is MWFDZQADYQEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O2/c1-11-3-5(7,8)6(9,10)4-12-2/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-1,4-dimethoxybutane?
2,2,3,3-tetrafluoro-1,4-dimethoxybutane has a molecular weight of 190.14 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1,4-dimethoxybutane is sourced from PubChem (CID 58361980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).