2-(3,3-difluorobutoxy)propanoic acid

C7H12F2O3 — CID 84658279

IUPAC2-(3,3-difluorobutoxy)propanoic acid
SMILESCC(OCCC(C)(F)F)C(=O)O
InChIInChI=1S/C7H12F2O3/c1-5(6(10)11)12-4-3-7(2,8)9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyQGYCOZPKCIWDCF-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.52
Rot. Bonds5

About 2-(3,3-difluorobutoxy)propanoic acid

2-(3,3-difluorobutoxy)propanoic acid (PubChem CID 84658279) has the molecular formula C7H12F2O3 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(3,3-difluorobutoxy)propanoic acid.

Molecular Properties

Compound Name2-(3,3-difluorobutoxy)propanoic acid
PubChem CID84658279
Molecular FormulaC7H12F2O3
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name2-(3,3-difluorobutoxy)propanoic acid
SMILESCC(OCCC(C)(F)F)C(=O)O
InChIInChI=1S/C7H12F2O3/c1-5(6(10)11)12-4-3-7(2,8)9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyQGYCOZPKCIWDCF-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
(2S)-2-(3-cyano-3-methylbutoxy)propanoic acid
CID 104876020
2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-(2-tert-butylsulfonylethoxy)propanoic acid
CID 106721813
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-but-3-enoxypropanoic acid
CID 43128770
(2S)-2-but-3-ynoxypropanoic acid
CID 104876016
(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid
CID 104930414
(2S)-2-heptoxypropanoic acid
CID 22301798
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-ethoxypropanoic acid;methane
CID 160636954

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorobutoxy)propanoic acid?
The IUPAC name of 2-(3,3-difluorobutoxy)propanoic acid (CID 84658279) is 2-(3,3-difluorobutoxy)propanoic acid.
What is the SMILES notation for 2-(3,3-difluorobutoxy)propanoic acid?
The canonical SMILES for 2-(3,3-difluorobutoxy)propanoic acid is CC(OCCC(C)(F)F)C(=O)O.
What is the InChIKey of 2-(3,3-difluorobutoxy)propanoic acid?
The InChIKey is QGYCOZPKCIWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3/c1-5(6(10)11)12-4-3-7(2,8)9/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(3,3-difluorobutoxy)propanoic acid?
2-(3,3-difluorobutoxy)propanoic acid has a molecular weight of 182.17 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutoxy)propanoic acid is sourced from PubChem (CID 84658279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).