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

C4H2F6O — CID 15099035

IUPAC1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane
SMILESFC(F)=C(F)OCC(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2(6)3(7)11-1-4(8,9)10/h1H2
InChIKeyBYBNJOMGWYRFMZ-UHFFFAOYSA-N
MW180.05 g/mol
LogP2.60
Rot. Bonds2

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

1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane (PubChem CID 15099035) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane
PubChem CID15099035
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane
SMILESFC(F)=C(F)OCC(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2(6)3(7)11-1-4(8,9)10/h1H2
InChIKeyBYBNJOMGWYRFMZ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane (CID 15099035) is 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane is FC(F)=C(F)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane?
The InChIKey is BYBNJOMGWYRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-2(6)3(7)11-1-4(8,9)10/h1H2.
What are the key properties of 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane?
1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane has a molecular weight of 180.05 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,2,2-trifluoroethenoxy)ethane is sourced from PubChem (CID 15099035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).