1-(difluoromethoxy)-2-fluoroethane

C3H5F3O — CID 87932237

IUPAC1-(difluoromethoxy)-2-fluoroethane
SMILESFCCOC(F)F
InChIInChI=1S/C3H5F3O/c4-1-2-7-3(5)6/h3H,1-2H2
InChIKeyIFZSTULXSGOXIJ-UHFFFAOYSA-N
MW114.07 g/mol
LogP1.20
Rot. Bonds3

About 1-(difluoromethoxy)-2-fluoroethane

1-(difluoromethoxy)-2-fluoroethane (PubChem CID 87932237) has the molecular formula C3H5F3O and a molecular weight of 114.07 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoroethane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoroethane
PubChem CID87932237
Molecular FormulaC3H5F3O
Molecular Weight114.07 g/mol
Exact Mass114.03
IUPAC Name1-(difluoromethoxy)-2-fluoroethane
SMILESFCCOC(F)F
InChIInChI=1S/C3H5F3O/c4-1-2-7-3(5)6/h3H,1-2H2
InChIKeyIFZSTULXSGOXIJ-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoroethane?
The IUPAC name of 1-(difluoromethoxy)-2-fluoroethane (CID 87932237) is 1-(difluoromethoxy)-2-fluoroethane.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoroethane?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoroethane is FCCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoroethane?
The InChIKey is IFZSTULXSGOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O/c4-1-2-7-3(5)6/h3H,1-2H2.
What are the key properties of 1-(difluoromethoxy)-2-fluoroethane?
1-(difluoromethoxy)-2-fluoroethane has a molecular weight of 114.07 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoroethane is sourced from PubChem (CID 87932237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).