1-fluoro-1-(fluoromethoxy)ethane

C3H6F2O — CID 18924253

IUPAC1-fluoro-1-(fluoromethoxy)ethane
SMILESCC(F)OCF
InChIInChI=1S/C3H6F2O/c1-3(5)6-2-4/h3H,2H2,1H3
InChIKeySZGZGUYIJDIGSU-UHFFFAOYSA-N
MW96.08 g/mol
LogP1.25
Rot. Bonds2

About 1-fluoro-1-(fluoromethoxy)ethane

1-fluoro-1-(fluoromethoxy)ethane (PubChem CID 18924253) has the molecular formula C3H6F2O and a molecular weight of 96.08 g/mol. Its IUPAC name is 1-fluoro-1-(fluoromethoxy)ethane.

Molecular Properties

Compound Name1-fluoro-1-(fluoromethoxy)ethane
PubChem CID18924253
Molecular FormulaC3H6F2O
Molecular Weight96.08 g/mol
Exact Mass96.04
IUPAC Name1-fluoro-1-(fluoromethoxy)ethane
SMILESCC(F)OCF
InChIInChI=1S/C3H6F2O/c1-3(5)6-2-4/h3H,2H2,1H3
InChIKeySZGZGUYIJDIGSU-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(fluoromethoxy)ethane?
The IUPAC name of 1-fluoro-1-(fluoromethoxy)ethane (CID 18924253) is 1-fluoro-1-(fluoromethoxy)ethane.
What is the SMILES notation for 1-fluoro-1-(fluoromethoxy)ethane?
The canonical SMILES for 1-fluoro-1-(fluoromethoxy)ethane is CC(F)OCF.
What is the InChIKey of 1-fluoro-1-(fluoromethoxy)ethane?
The InChIKey is SZGZGUYIJDIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O/c1-3(5)6-2-4/h3H,2H2,1H3.
What are the key properties of 1-fluoro-1-(fluoromethoxy)ethane?
1-fluoro-1-(fluoromethoxy)ethane has a molecular weight of 96.08 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(fluoromethoxy)ethane is sourced from PubChem (CID 18924253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).