2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate

C14H8F3O3- — CID 162451027

IUPAC2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate
SMILESO=C([O-])C(F)(F)Oc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H9F3O3/c15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(16,17)13(18)19/h1-8H,(H,18,19)/p-1
InChIKeyKQWMDCHZTMFSGB-UHFFFAOYSA-M
MW281.21 g/mol
LogP2.21
Rot. Bonds4

About 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate

2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate (PubChem CID 162451027) has the molecular formula C14H8F3O3- and a molecular weight of 281.21 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate
PubChem CID162451027
Molecular FormulaC14H8F3O3-
Molecular Weight281.21 g/mol
Exact Mass281.04
IUPAC Name2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate
SMILESO=C([O-])C(F)(F)Oc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H9F3O3/c15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(16,17)13(18)19/h1-8H,(H,18,19)/p-1
InChIKeyKQWMDCHZTMFSGB-UHFFFAOYSA-M
XLogP2.21
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.21
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-[4-(4-fluorophenyl)phenoxy]acetate?
The IUPAC name of 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate (CID 162451027) is 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate.
What is the SMILES notation for 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate?
The canonical SMILES for 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate is O=C([O-])C(F)(F)Oc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate?
The InChIKey is KQWMDCHZTMFSGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9F3O3/c15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(16,17)13(18)19/h1-8H,(H,18,19)/p-1.
What are the key properties of 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate?
2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate has a molecular weight of 281.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate is sourced from PubChem (CID 162451027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).