2,2-difluoro-2-(3-fluorophenoxy)acetate

C8H4F3O3- — CID 162451015

IUPAC2,2-difluoro-2-(3-fluorophenoxy)acetate
SMILESO=C([O-])C(F)(F)Oc1cccc(F)c1
InChIInChI=1S/C8H5F3O3/c9-5-2-1-3-6(4-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)/p-1
InChIKeyPHTXBEYMBSCDTG-UHFFFAOYSA-M
MW205.11 g/mol
LogP0.55
Rot. Bonds3

About 2,2-difluoro-2-(3-fluorophenoxy)acetate

2,2-difluoro-2-(3-fluorophenoxy)acetate (PubChem CID 162451015) has the molecular formula C8H4F3O3- and a molecular weight of 205.11 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name2,2-difluoro-2-(3-fluorophenoxy)acetate
PubChem CID162451015
Molecular FormulaC8H4F3O3-
Molecular Weight205.11 g/mol
Exact Mass205.01
IUPAC Name2,2-difluoro-2-(3-fluorophenoxy)acetate
SMILESO=C([O-])C(F)(F)Oc1cccc(F)c1
InChIInChI=1S/C8H5F3O3/c9-5-2-1-3-6(4-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)/p-1
InChIKeyPHTXBEYMBSCDTG-UHFFFAOYSA-M
XLogP0.55
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-fluorophenoxy)acetate?
The IUPAC name of 2,2-difluoro-2-(3-fluorophenoxy)acetate (CID 162451015) is 2,2-difluoro-2-(3-fluorophenoxy)acetate.
What is the SMILES notation for 2,2-difluoro-2-(3-fluorophenoxy)acetate?
The canonical SMILES for 2,2-difluoro-2-(3-fluorophenoxy)acetate is O=C([O-])C(F)(F)Oc1cccc(F)c1.
What is the InChIKey of 2,2-difluoro-2-(3-fluorophenoxy)acetate?
The InChIKey is PHTXBEYMBSCDTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F3O3/c9-5-2-1-3-6(4-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)/p-1.
What are the key properties of 2,2-difluoro-2-(3-fluorophenoxy)acetate?
2,2-difluoro-2-(3-fluorophenoxy)acetate has a molecular weight of 205.11 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 162451015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).