1-fluoro-2-(trifluoromethoxy)ethane

C3H4F4O — CID 11137203

IUPAC1-fluoro-2-(trifluoromethoxy)ethane
SMILESFCCOC(F)(F)F
InChIInChI=1S/C3H4F4O/c4-1-2-8-3(5,6)7/h1-2H2
InChIKeyFDNUMWRNRUUZIF-UHFFFAOYSA-N
MW132.06 g/mol
LogP1.49
Rot. Bonds2

About 1-fluoro-2-(trifluoromethoxy)ethane

1-fluoro-2-(trifluoromethoxy)ethane (PubChem CID 11137203) has the molecular formula C3H4F4O and a molecular weight of 132.06 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethoxy)ethane
PubChem CID11137203
Molecular FormulaC3H4F4O
Molecular Weight132.06 g/mol
Exact Mass132.02
IUPAC Name1-fluoro-2-(trifluoromethoxy)ethane
SMILESFCCOC(F)(F)F
InChIInChI=1S/C3H4F4O/c4-1-2-8-3(5,6)7/h1-2H2
InChIKeyFDNUMWRNRUUZIF-UHFFFAOYSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.06
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1-fluoro-2-(trifluoromethoxy)ethane (CID 11137203) is 1-fluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-fluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1-fluoro-2-(trifluoromethoxy)ethane is FCCOC(F)(F)F.
What is the InChIKey of 1-fluoro-2-(trifluoromethoxy)ethane?
The InChIKey is FDNUMWRNRUUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O/c4-1-2-8-3(5,6)7/h1-2H2.
What are the key properties of 1-fluoro-2-(trifluoromethoxy)ethane?
1-fluoro-2-(trifluoromethoxy)ethane has a molecular weight of 132.06 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 11137203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).