4-(2,4-difluorophenoxy)butanoic acid

C10H10F2O3 — CID 6472956

IUPAC4-(2,4-difluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyAHUNOOHLCXZVML-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.21
Rot. Bonds5

About 4-(2,4-difluorophenoxy)butanoic acid

4-(2,4-difluorophenoxy)butanoic acid (PubChem CID 6472956) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)butanoic acid
PubChem CID6472956
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name4-(2,4-difluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyAHUNOOHLCXZVML-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)butanoic acid?
The IUPAC name of 4-(2,4-difluorophenoxy)butanoic acid (CID 6472956) is 4-(2,4-difluorophenoxy)butanoic acid.
What is the SMILES notation for 4-(2,4-difluorophenoxy)butanoic acid?
The canonical SMILES for 4-(2,4-difluorophenoxy)butanoic acid is O=C(O)CCCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)butanoic acid?
The InChIKey is AHUNOOHLCXZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 4-(2,4-difluorophenoxy)butanoic acid?
4-(2,4-difluorophenoxy)butanoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)butanoic acid is sourced from PubChem (CID 6472956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).