2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid

C6H9F3O3 — CID 175564025

IUPAC2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid
SMILESCC(OC(CF)C(F)F)C(=O)O
InChIInChI=1S/C6H9F3O3/c1-3(6(10)11)12-4(2-7)5(8)9/h3-5H,2H2,1H3,(H,10,11)
InChIKeyNLADFDHCVKYKKP-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.08
Rot. Bonds5

About 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid

2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid (PubChem CID 175564025) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid
PubChem CID175564025
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid
SMILESCC(OC(CF)C(F)F)C(=O)O
InChIInChI=1S/C6H9F3O3/c1-3(6(10)11)12-4(2-7)5(8)9/h3-5H,2H2,1H3,(H,10,11)
InChIKeyNLADFDHCVKYKKP-UHFFFAOYSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-(1-carboxyethoxy)butanedioic acid
CID 18176039
(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid
CID 104875476
2,5,5-trifluoro-4-methoxypentanoic acid
CID 140926724
2-(1-phosphonoethoxy)propanoic acid
CID 146452583
carbonic acid;1,3-difluorobutane
CID 87178365
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
(2R)-2-(1-cyanopropoxy)propanoic acid
CID 104875341
alumane;2-fluoropropanoic acid
CID 173229818
2-ethoxypropanoic acid;methane
CID 160636954
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
2-methoxypropanoic acid;titanium
CID 175177225

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid?
The IUPAC name of 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid (CID 175564025) is 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid.
What is the SMILES notation for 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid?
The canonical SMILES for 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid is CC(OC(CF)C(F)F)C(=O)O.
What is the InChIKey of 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid?
The InChIKey is NLADFDHCVKYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-3(6(10)11)12-4(2-7)5(8)9/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid?
2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid has a molecular weight of 186.13 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trifluoropropan-2-yloxy)propanoic acid is sourced from PubChem (CID 175564025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).