2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid

C5H4F6O3 — CID 58420740

IUPAC2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F6O3/c6-3(4(7,8)9)5(10,11)14-1-2(12)13/h3H,1H2,(H,12,13)
InChIKeyWHGFMLVGYMAHGO-UHFFFAOYSA-N
MW226.07 g/mol
LogP1.58
Rot. Bonds4

About 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid

2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid (PubChem CID 58420740) has the molecular formula C5H4F6O3 and a molecular weight of 226.07 g/mol. Its IUPAC name is 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid
PubChem CID58420740
Molecular FormulaC5H4F6O3
Molecular Weight226.07 g/mol
Exact Mass226.01
IUPAC Name2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F6O3/c6-3(4(7,8)9)5(10,11)14-1-2(12)13/h3H,1H2,(H,12,13)
InChIKeyWHGFMLVGYMAHGO-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid?
The IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid (CID 58420740) is 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid.
What is the SMILES notation for 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid?
The canonical SMILES for 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid is O=C(O)COC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid?
The InChIKey is WHGFMLVGYMAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O3/c6-3(4(7,8)9)5(10,11)14-1-2(12)13/h3H,1H2,(H,12,13).
What are the key properties of 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid?
2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid has a molecular weight of 226.07 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid is sourced from PubChem (CID 58420740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).