2-fluorobutanoic acid

C4H7FO2 — CID 9898

IUPAC2-fluorobutanoic acid
SMILESCCC(F)C(=O)O
InChIInChI=1S/C4H7FO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyGCSPSGQVZXMPKU-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.82
Rot. Bonds2

About 2-fluorobutanoic acid

2-fluorobutanoic acid (PubChem CID 9898) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 2-fluorobutanoic acid.

Molecular Properties

Compound Name2-fluorobutanoic acid
PubChem CID9898
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Name2-fluorobutanoic acid
SMILESCCC(F)C(=O)O
InChIInChI=1S/C4H7FO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyGCSPSGQVZXMPKU-UHFFFAOYSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobutanoic acid?
The IUPAC name of 2-fluorobutanoic acid (CID 9898) is 2-fluorobutanoic acid.
What is the SMILES notation for 2-fluorobutanoic acid?
The canonical SMILES for 2-fluorobutanoic acid is CCC(F)C(=O)O.
What is the InChIKey of 2-fluorobutanoic acid?
The InChIKey is GCSPSGQVZXMPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7).
What are the key properties of 2-fluorobutanoic acid?
2-fluorobutanoic acid has a molecular weight of 106.10 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutanoic acid is sourced from PubChem (CID 9898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).