2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid

C11H12F2O4 — CID 43651958

IUPAC2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid
SMILESCOCCc1ccc(OC(F)(F)C(=O)O)cc1
InChIInChI=1S/C11H12F2O4/c1-16-7-6-8-2-4-9(5-3-8)17-11(12,13)10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyJTLKKBQSMRCKRT-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.93
Rot. Bonds6

About 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid

2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid (PubChem CID 43651958) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid
PubChem CID43651958
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid
SMILESCOCCc1ccc(OC(F)(F)C(=O)O)cc1
InChIInChI=1S/C11H12F2O4/c1-16-7-6-8-2-4-9(5-3-8)17-11(12,13)10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyJTLKKBQSMRCKRT-UHFFFAOYSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
16-[4-(trifluoromethoxy)phenyl]hexadecan-2-one
CID 70484420
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
4-[2-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxyethyl]benzoic acid
CID 157226623
5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
CID 71879831

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid (CID 43651958) is 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid is COCCc1ccc(OC(F)(F)C(=O)O)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid?
The InChIKey is JTLKKBQSMRCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-16-7-6-8-2-4-9(5-3-8)17-11(12,13)10(14)15/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid?
2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid has a molecular weight of 246.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid is sourced from PubChem (CID 43651958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).