2-fluoro-2-methylbutanoic acid

C5H9FO2 — CID 11366977

IUPAC2-fluoro-2-methylbutanoic acid
SMILESCCC(C)(F)C(=O)O
InChIInChI=1S/C5H9FO2/c1-3-5(2,6)4(7)8/h3H2,1-2H3,(H,7,8)
InChIKeyWNQJNSIPFOYZPG-UHFFFAOYSA-N
MW120.12 g/mol
LogP1.21
Rot. Bonds2

About 2-fluoro-2-methylbutanoic acid

2-fluoro-2-methylbutanoic acid (PubChem CID 11366977) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is 2-fluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-2-methylbutanoic acid
PubChem CID11366977
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name2-fluoro-2-methylbutanoic acid
SMILESCCC(C)(F)C(=O)O
InChIInChI=1S/C5H9FO2/c1-3-5(2,6)4(7)8/h3H2,1-2H3,(H,7,8)
InChIKeyWNQJNSIPFOYZPG-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylbutanoic acid?
The IUPAC name of 2-fluoro-2-methylbutanoic acid (CID 11366977) is 2-fluoro-2-methylbutanoic acid.
What is the SMILES notation for 2-fluoro-2-methylbutanoic acid?
The canonical SMILES for 2-fluoro-2-methylbutanoic acid is CCC(C)(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-methylbutanoic acid?
The InChIKey is WNQJNSIPFOYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c1-3-5(2,6)4(7)8/h3H2,1-2H3,(H,7,8).
What are the key properties of 2-fluoro-2-methylbutanoic acid?
2-fluoro-2-methylbutanoic acid has a molecular weight of 120.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylbutanoic acid is sourced from PubChem (CID 11366977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).