2-fluoro-2-methoxy-3-methylbutanoic acid

C6H11FO3 — CID 89358566

IUPAC2-fluoro-2-methoxy-3-methylbutanoic acid
SMILESCOC(F)(C(=O)O)C(C)C
InChIInChI=1S/C6H11FO3/c1-4(2)6(7,10-3)5(8)9/h4H,1-3H3,(H,8,9)
InChIKeyYALGCOVISOJQED-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.04
Rot. Bonds3

About 2-fluoro-2-methoxy-3-methylbutanoic acid

2-fluoro-2-methoxy-3-methylbutanoic acid (PubChem CID 89358566) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-fluoro-2-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-2-methoxy-3-methylbutanoic acid
PubChem CID89358566
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name2-fluoro-2-methoxy-3-methylbutanoic acid
SMILESCOC(F)(C(=O)O)C(C)C
InChIInChI=1S/C6H11FO3/c1-4(2)6(7,10-3)5(8)9/h4H,1-3H3,(H,8,9)
InChIKeyYALGCOVISOJQED-UHFFFAOYSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methoxy-3-methylbutanoic acid?
The IUPAC name of 2-fluoro-2-methoxy-3-methylbutanoic acid (CID 89358566) is 2-fluoro-2-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 2-fluoro-2-methoxy-3-methylbutanoic acid?
The canonical SMILES for 2-fluoro-2-methoxy-3-methylbutanoic acid is COC(F)(C(=O)O)C(C)C.
What is the InChIKey of 2-fluoro-2-methoxy-3-methylbutanoic acid?
The InChIKey is YALGCOVISOJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-4(2)6(7,10-3)5(8)9/h4H,1-3H3,(H,8,9).
What are the key properties of 2-fluoro-2-methoxy-3-methylbutanoic acid?
2-fluoro-2-methoxy-3-methylbutanoic acid has a molecular weight of 150.15 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 89358566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).