2-[4-(difluoromethoxy)phenyl]acetic acid

C9H8F2O3 — CID 2774127

IUPAC2-[4-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H8F2O3/c10-9(11)14-7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKeyQAIYQXXEMHGUNB-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.92
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]acetic acid

2-[4-(difluoromethoxy)phenyl]acetic acid (PubChem CID 2774127) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]acetic acid
PubChem CID2774127
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-[4-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H8F2O3/c10-9(11)14-7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKeyQAIYQXXEMHGUNB-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid
CID 147173854
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
CID 82008841
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
CID 117094928
2-[4-[2-[[4-(difluoromethoxy)phenyl]-hydroxymethyl]-5-phenylpentyl]phenyl]acetic acid
CID 23138043
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
CID 119211861
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]acetic acid (CID 2774127) is 2-[4-(difluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]acetic acid?
The InChIKey is QAIYQXXEMHGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-9(11)14-7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]acetic acid?
2-[4-(difluoromethoxy)phenyl]acetic acid has a molecular weight of 202.16 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 2774127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).