2-(2,2,2-Trifluoroethoxy)propanoic acid

C5H7F3O3 — CID 10511382

IUPAC2-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(C(=O)O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-3(4(9)10)11-2-5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChIKeyWLVIHEZFLDLAON-UHFFFAOYSA-N
MW172.10 g/mol
LogP1.20
Rot. Bonds3

About 2-(2,2,2-Trifluoroethoxy)propanoic acid

2-(2,2,2-Trifluoroethoxy)propanoic acid (PubChem CID 10511382) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)propanoic acid.

Molecular Properties

Compound Name2-(2,2,2-Trifluoroethoxy)propanoic acid
PubChem CID10511382
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(C(=O)O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-3(4(9)10)11-2-5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChIKeyWLVIHEZFLDLAON-UHFFFAOYSA-N
XLogP1.20
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity142

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethoxypropanoic acid
CID 15268841
Ethyl 3,3,3-trifluoro-2-hydroxypropanoate
CID 2758935
methyl (2S)-3,3,3-trifluoro-2-hydroxypropanoate
CID 7160818
Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 10867048
(2R)-2-ethoxypropanoic acid
CID 28197408
Methyl 3,3,3-trifluoro-dl-lactate
CID 2760118
3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid
CID 54280427
Ethyl 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionate
CID 13384220
2-Isopropoxypropanoic acid
CID 17046910
Methyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 21600538
Methyl 3,3-difluoro-2-hydroxypropanoate
CID 80611457
2-[(1,1,1-Trifluoro-2-methylpropan-2-yl)oxy]acetic acid
CID 86635123

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-Trifluoroethoxy)propanoic acid?
The IUPAC name of 2-(2,2,2-Trifluoroethoxy)propanoic acid (CID 10511382) is 2-(2,2,2-trifluoroethoxy)propanoic acid.
What is the SMILES notation for 2-(2,2,2-Trifluoroethoxy)propanoic acid?
The canonical SMILES for 2-(2,2,2-Trifluoroethoxy)propanoic acid is CC(C(=O)O)OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-Trifluoroethoxy)propanoic acid?
The InChIKey is WLVIHEZFLDLAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-3(4(9)10)11-2-5(6,7)8/h3H,2H2,1H3,(H,9,10).
What are the key properties of 2-(2,2,2-Trifluoroethoxy)propanoic acid?
2-(2,2,2-Trifluoroethoxy)propanoic acid has a molecular weight of 172.10 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-Trifluoroethoxy)propanoic acid is sourced from PubChem (CID 10511382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).