2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid

C12H14F2O4 — CID 82008841

IUPAC2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCOCC(F)F)cc1
InChIInChI=1S/C12H14F2O4/c13-11(14)8-17-5-6-18-10-3-1-9(2-4-10)7-12(15)16/h1-4,11H,5-8H2,(H,15,16)
InChIKeyDALISDRAPHOIGI-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.97
Rot. Bonds8

About 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid

2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid (PubChem CID 82008841) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
PubChem CID82008841
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCOCC(F)F)cc1
InChIInChI=1S/C12H14F2O4/c13-11(14)8-17-5-6-18-10-3-1-9(2-4-10)7-12(15)16/h1-4,11H,5-8H2,(H,15,16)
InChIKeyDALISDRAPHOIGI-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]ethanamine
CID 82007121
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007237
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid
CID 63074837
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-(4-pent-3-ynoxyphenyl)acetic acid
CID 104804047
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid (CID 82008841) is 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCCOCC(F)F)cc1.
What is the InChIKey of 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid?
The InChIKey is DALISDRAPHOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O4/c13-11(14)8-17-5-6-18-10-3-1-9(2-4-10)7-12(15)16/h1-4,11H,5-8H2,(H,15,16).
What are the key properties of 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid?
2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid has a molecular weight of 260.24 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 82008841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).