1-(1,1,2,2-tetrafluoroethoxy)butane

C6H10F4O — CID 9659

IUPAC1-(1,1,2,2-tetrafluoroethoxy)butane
SMILESCCCCOC(F)(F)C(F)F
InChIInChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
InChIKeyCIVGBESMFDRXNF-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.66
Rot. Bonds5

About 1-(1,1,2,2-tetrafluoroethoxy)butane

1-(1,1,2,2-tetrafluoroethoxy)butane (PubChem CID 9659) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethoxy)butane.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethoxy)butane
PubChem CID9659
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name1-(1,1,2,2-tetrafluoroethoxy)butane
SMILESCCCCOC(F)(F)C(F)F
InChIInChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
InChIKeyCIVGBESMFDRXNF-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)butane?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)butane (CID 9659) is 1-(1,1,2,2-tetrafluoroethoxy)butane.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethoxy)butane?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethoxy)butane is CCCCOC(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethoxy)butane?
The InChIKey is CIVGBESMFDRXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluoroethoxy)butane?
1-(1,1,2,2-tetrafluoroethoxy)butane has a molecular weight of 174.14 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethoxy)butane is sourced from PubChem (CID 9659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).