2-(3,4-difluorophenoxy)butanoic acid

C10H10F2O3 — CID 43808864

IUPAC2-(3,4-difluorophenoxy)butanoic acid
SMILESCCC(Oc1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-2-9(10(13)14)15-6-3-4-7(11)8(12)5-6/h3-5,9H,2H2,1H3,(H,13,14)
InChIKeyRTRZBSHPNDOWLF-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.21
Rot. Bonds4

About 2-(3,4-difluorophenoxy)butanoic acid

2-(3,4-difluorophenoxy)butanoic acid (PubChem CID 43808864) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)butanoic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)butanoic acid
PubChem CID43808864
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-(3,4-difluorophenoxy)butanoic acid
SMILESCCC(Oc1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-2-9(10(13)14)15-6-3-4-7(11)8(12)5-6/h3-5,9H,2H2,1H3,(H,13,14)
InChIKeyRTRZBSHPNDOWLF-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

(2S)-2-[3-fluoro-4-(trifluoromethyl)phenoxy]butanoic acid
CID 18643865
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
2-(4-bromo-3-methylphenoxy)butanoic acid
CID 54792675
2-[4-(4-bromo-2-fluorophenoxy)-2-fluorophenoxy]butanoic acid
CID 57100137
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)butanoic acid?
The IUPAC name of 2-(3,4-difluorophenoxy)butanoic acid (CID 43808864) is 2-(3,4-difluorophenoxy)butanoic acid.
What is the SMILES notation for 2-(3,4-difluorophenoxy)butanoic acid?
The canonical SMILES for 2-(3,4-difluorophenoxy)butanoic acid is CCC(Oc1ccc(F)c(F)c1)C(=O)O.
What is the InChIKey of 2-(3,4-difluorophenoxy)butanoic acid?
The InChIKey is RTRZBSHPNDOWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-2-9(10(13)14)15-6-3-4-7(11)8(12)5-6/h3-5,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-(3,4-difluorophenoxy)butanoic acid?
2-(3,4-difluorophenoxy)butanoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)butanoic acid is sourced from PubChem (CID 43808864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).