2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid

C11H20F2O3 — CID 54086432

IUPAC2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid
SMILESCCC(C)C(F)(OCC(F)C(C)C)C(=O)O
InChIInChI=1S/C11H20F2O3/c1-5-8(4)11(13,10(14)15)16-6-9(12)7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyGSCYFWQRWGGWMO-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.79
Rot. Bonds7

About 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid

2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid (PubChem CID 54086432) has the molecular formula C11H20F2O3 and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid
PubChem CID54086432
Molecular FormulaC11H20F2O3
Molecular Weight238.27 g/mol
Exact Mass238.14
IUPAC Name2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid
SMILESCCC(C)C(F)(OCC(F)C(C)C)C(=O)O
InChIInChI=1S/C11H20F2O3/c1-5-8(4)11(13,10(14)15)16-6-9(12)7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyGSCYFWQRWGGWMO-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid?
The IUPAC name of 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid (CID 54086432) is 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid.
What is the SMILES notation for 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid?
The canonical SMILES for 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid is CCC(C)C(F)(OCC(F)C(C)C)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid?
The InChIKey is GSCYFWQRWGGWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O3/c1-5-8(4)11(13,10(14)15)16-6-9(12)7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid?
2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid has a molecular weight of 238.27 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-fluoro-3-methylbutoxy)-3-methylpentanoic acid is sourced from PubChem (CID 54086432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).