1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane

C3HF7O — CID 2776667

IUPAC1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKeyUDKWMTKIRQSDHF-UHFFFAOYSA-N
MW186.03 g/mol
LogP2.38
Rot. Bonds1

About 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane

1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane (PubChem CID 2776667) has the molecular formula C3HF7O and a molecular weight of 186.03 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane
PubChem CID2776667
Molecular FormulaC3HF7O
Molecular Weight186.03 g/mol
Exact Mass185.99
IUPAC Name1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKeyUDKWMTKIRQSDHF-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane (CID 2776667) is 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane is FC(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The InChIKey is UDKWMTKIRQSDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H.
What are the key properties of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane?
1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane has a molecular weight of 186.03 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 2776667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).