3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid

C4H4F4O3 — CID 54280427

IUPAC3,3,3-trifluoro-2-(fluoromethoxy)propanoic acid
SMILESC(OC(C(=O)O)C(F)(F)F)F
InChIInChI=1S/C4H4F4O3/c5-1-11-2(3(9)10)4(6,7)8/h2H,1H2,(H,9,10)
InChIKeyRQKQLDVHNRCKHL-UHFFFAOYSA-N
MW176.07 g/mol
LogP1.30
Rot. Bonds3

About 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid

3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid (PubChem CID 54280427) has the molecular formula C4H4F4O3 and a molecular weight of 176.07 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(fluoromethoxy)propanoic acid.

Molecular Properties

Compound Name3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid
PubChem CID54280427
Molecular FormulaC4H4F4O3
Molecular Weight176.07 g/mol
Exact Mass176.01
IUPAC Name3,3,3-trifluoro-2-(fluoromethoxy)propanoic acid
SMILESC(OC(C(=O)O)C(F)(F)F)F
InChIInChI=1S/C4H4F4O3/c5-1-11-2(3(9)10)4(6,7)8/h2H,1H2,(H,9,10)
InChIKeyRQKQLDVHNRCKHL-UHFFFAOYSA-N
XLogP1.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms11
Complexity143

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.07
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid?
The IUPAC name of 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid (CID 54280427) is 3,3,3-trifluoro-2-(fluoromethoxy)propanoic acid.
What is the SMILES notation for 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid?
The canonical SMILES for 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid is C(OC(C(=O)O)C(F)(F)F)F.
What is the InChIKey of 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid?
The InChIKey is RQKQLDVHNRCKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-1-11-2(3(9)10)4(6,7)8/h2H,1H2,(H,9,10).
What are the key properties of 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid?
3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid has a molecular weight of 176.07 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic acid is sourced from PubChem (CID 54280427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).