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

C3H2F6O — CID 2777154

IUPAC1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)COC(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1-10-3(7,8)9/h1H2
InChIKeyMWVZDOGOCGRMOE-UHFFFAOYSA-N
MW168.04 g/mol
LogP2.09
Rot. Bonds1

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

1,1,1-trifluoro-2-(trifluoromethoxy)ethane (PubChem CID 2777154) has the molecular formula C3H2F6O and a molecular weight of 168.04 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethoxy)ethane
PubChem CID2777154
Molecular FormulaC3H2F6O
Molecular Weight168.04 g/mol
Exact Mass168.00
IUPAC Name1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)COC(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1-10-3(7,8)9/h1H2
InChIKeyMWVZDOGOCGRMOE-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethoxy)ethane (CID 2777154) is 1,1,1-trifluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethoxy)ethane is FC(F)(F)COC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The InChIKey is MWVZDOGOCGRMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O/c4-2(5,6)1-10-3(7,8)9/h1H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
1,1,1-trifluoro-2-(trifluoromethoxy)ethane has a molecular weight of 168.04 g/mol, XLogP of 2.09, 1 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-(trifluoromethoxy)ethane is sourced from PubChem (CID 2777154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).