2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid

C12H12F2O3 — CID 114991492

IUPAC2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid
SMILESCC(Oc1ccc(F)cc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H12F2O3/c1-12(11(15)16,7-2-3-7)17-10-5-4-8(13)6-9(10)14/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyGGKDCNRWIMLCTF-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.60
Rot. Bonds4

About 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid

2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid (PubChem CID 114991492) has the molecular formula C12H12F2O3 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid
PubChem CID114991492
Molecular FormulaC12H12F2O3
Molecular Weight242.22 g/mol
Exact Mass242.08
IUPAC Name2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid
SMILESCC(Oc1ccc(F)cc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H12F2O3/c1-12(11(15)16,7-2-3-7)17-10-5-4-8(13)6-9(10)14/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyGGKDCNRWIMLCTF-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid (CID 114991492) is 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid is CC(Oc1ccc(F)cc1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid?
The InChIKey is GGKDCNRWIMLCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3/c1-12(11(15)16,7-2-3-7)17-10-5-4-8(13)6-9(10)14/h4-7H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid?
2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid has a molecular weight of 242.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid is sourced from PubChem (CID 114991492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).