1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane

C4H2F6O — CID 87946699

IUPAC1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane
SMILESFCC(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4H2F6O/c5-1-4(9,10)11-3(8)2(6)7/h1H2
InChIKeyAJWRFOLUYJNNLH-UHFFFAOYSA-N
MW180.05 g/mol
LogP2.60
Rot. Bonds3

About 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane

1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane (PubChem CID 87946699) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane
PubChem CID87946699
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane
SMILESFCC(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4H2F6O/c5-1-4(9,10)11-3(8)2(6)7/h1H2
InChIKeyAJWRFOLUYJNNLH-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane?
The IUPAC name of 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane (CID 87946699) is 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane.
What is the SMILES notation for 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane?
The canonical SMILES for 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane is FCC(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane?
The InChIKey is AJWRFOLUYJNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-1-4(9,10)11-3(8)2(6)7/h1H2.
What are the key properties of 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane?
1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane has a molecular weight of 180.05 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane is sourced from PubChem (CID 87946699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).