1,1-diethoxy-1,2,2,2-tetrafluoroethane

C6H10F4O2 — CID 19981077

IUPAC1,1-diethoxy-1,2,2,2-tetrafluoroethane
SMILESCCOC(F)(OCC)C(F)(F)F
InChIInChI=1S/C6H10F4O2/c1-3-11-6(10,12-4-2)5(7,8)9/h3-4H2,1-2H3
InChIKeyRNGNZKKKXXTPKT-UHFFFAOYSA-N
MW190.14 g/mol
LogP2.24
Rot. Bonds4

About 1,1-diethoxy-1,2,2,2-tetrafluoroethane

1,1-diethoxy-1,2,2,2-tetrafluoroethane (PubChem CID 19981077) has the molecular formula C6H10F4O2 and a molecular weight of 190.14 g/mol. Its IUPAC name is 1,1-diethoxy-1,2,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,1-diethoxy-1,2,2,2-tetrafluoroethane
PubChem CID19981077
Molecular FormulaC6H10F4O2
Molecular Weight190.14 g/mol
Exact Mass190.06
IUPAC Name1,1-diethoxy-1,2,2,2-tetrafluoroethane
SMILESCCOC(F)(OCC)C(F)(F)F
InChIInChI=1S/C6H10F4O2/c1-3-11-6(10,12-4-2)5(7,8)9/h3-4H2,1-2H3
InChIKeyRNGNZKKKXXTPKT-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-1,2,2,2-tetrafluoroethane?
The IUPAC name of 1,1-diethoxy-1,2,2,2-tetrafluoroethane (CID 19981077) is 1,1-diethoxy-1,2,2,2-tetrafluoroethane.
What is the SMILES notation for 1,1-diethoxy-1,2,2,2-tetrafluoroethane?
The canonical SMILES for 1,1-diethoxy-1,2,2,2-tetrafluoroethane is CCOC(F)(OCC)C(F)(F)F.
What is the InChIKey of 1,1-diethoxy-1,2,2,2-tetrafluoroethane?
The InChIKey is RNGNZKKKXXTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O2/c1-3-11-6(10,12-4-2)5(7,8)9/h3-4H2,1-2H3.
What are the key properties of 1,1-diethoxy-1,2,2,2-tetrafluoroethane?
1,1-diethoxy-1,2,2,2-tetrafluoroethane has a molecular weight of 190.14 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-1,2,2,2-tetrafluoroethane is sourced from PubChem (CID 19981077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).