2-(2,2,2-trifluoroethoxy)acetic acid

C4H5F3O3 — CID 4738453

IUPAC2-(2,2,2-trifluoroethoxy)acetic acid
SMILESO=C(O)COCC(F)(F)F
InChIInChI=1S/C4H5F3O3/c5-4(6,7)2-10-1-3(8)9/h1-2H2,(H,8,9)
InChIKeyICSOIMDWVVEKBW-UHFFFAOYSA-N
MW158.07 g/mol
LogP0.65
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)acetic acid

2-(2,2,2-trifluoroethoxy)acetic acid (PubChem CID 4738453) has the molecular formula C4H5F3O3 and a molecular weight of 158.07 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)acetic acid
PubChem CID4738453
Molecular FormulaC4H5F3O3
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Name2-(2,2,2-trifluoroethoxy)acetic acid
SMILESO=C(O)COCC(F)(F)F
InChIInChI=1S/C4H5F3O3/c5-4(6,7)2-10-1-3(8)9/h1-2H2,(H,8,9)
InChIKeyICSOIMDWVVEKBW-UHFFFAOYSA-N
XLogP0.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)acetic acid (CID 4738453) is 2-(2,2,2-trifluoroethoxy)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)acetic acid is O=C(O)COCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)acetic acid?
The InChIKey is ICSOIMDWVVEKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O3/c5-4(6,7)2-10-1-3(8)9/h1-2H2,(H,8,9).
What are the key properties of 2-(2,2,2-trifluoroethoxy)acetic acid?
2-(2,2,2-trifluoroethoxy)acetic acid has a molecular weight of 158.07 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)acetic acid is sourced from PubChem (CID 4738453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).