2-[4-(2,2-difluoropropoxy)phenyl]acetic acid

C11H12F2O3 — CID 84693365

IUPAC2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
SMILESCC(F)(F)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12F2O3/c1-11(12,13)7-16-9-4-2-8(3-5-9)6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyOKRJWPGLKMXPJK-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.35
Rot. Bonds5

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

2-[4-(2,2-difluoropropoxy)phenyl]acetic acid (PubChem CID 84693365) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
PubChem CID84693365
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
SMILESCC(F)(F)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12F2O3/c1-11(12,13)7-16-9-4-2-8(3-5-9)6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyOKRJWPGLKMXPJK-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[4-(3-amino-2,2-dimethylpropoxy)phenyl]acetic acid
CID 117094919
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2,2-difluoropropoxybenzene
CID 10997493
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid (CID 84693365) is 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid is CC(F)(F)COc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid?
The InChIKey is OKRJWPGLKMXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-11(12,13)7-16-9-4-2-8(3-5-9)6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid?
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid has a molecular weight of 230.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoropropoxy)phenyl]acetic acid is sourced from PubChem (CID 84693365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).