2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid

C10H15F5O3 — CID 175318324

IUPAC2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid
SMILESCCC(OCC(F)C(F)C(F)C(F)CF)C(=O)O
InChIInChI=1S/C10H15F5O3/c1-2-7(10(16)17)18-4-6(13)9(15)8(14)5(12)3-11/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyXEKOEVIACMJFSN-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.19
Rot. Bonds9

About 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid

2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid (PubChem CID 175318324) has the molecular formula C10H15F5O3 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid
PubChem CID175318324
Molecular FormulaC10H15F5O3
Molecular Weight278.22 g/mol
Exact Mass278.09
IUPAC Name2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid
SMILESCCC(OCC(F)C(F)C(F)C(F)CF)C(=O)O
InChIInChI=1S/C10H15F5O3/c1-2-7(10(16)17)18-4-6(13)9(15)8(14)5(12)3-11/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyXEKOEVIACMJFSN-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,4,5,6-pentafluorohexoxy)butanoic 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-(2,3,4,5,6-pentafluorohexoxy)butanoic acid?
The IUPAC name of 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid (CID 175318324) is 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid is CCC(OCC(F)C(F)C(F)C(F)CF)C(=O)O.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid?
The InChIKey is XEKOEVIACMJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O3/c1-2-7(10(16)17)18-4-6(13)9(15)8(14)5(12)3-11/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid?
2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid has a molecular weight of 278.22 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid is sourced from PubChem (CID 175318324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).