2,2-difluorobutanoic acid

C4H6F2O2 — CID 3711426

IUPAC2,2-difluorobutanoic acid
SMILESCCC(F)(F)C(=O)O
InChIInChI=1S/C4H6F2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
InChIKeySBSKRVZFWQPJID-UHFFFAOYSA-N
MW124.09 g/mol
LogP1.12
Rot. Bonds2

About 2,2-difluorobutanoic acid

2,2-difluorobutanoic acid (PubChem CID 3711426) has the molecular formula C4H6F2O2 and a molecular weight of 124.09 g/mol. Its IUPAC name is 2,2-difluorobutanoic acid.

Molecular Properties

Compound Name2,2-difluorobutanoic acid
PubChem CID3711426
Molecular FormulaC4H6F2O2
Molecular Weight124.09 g/mol
Exact Mass124.03
IUPAC Name2,2-difluorobutanoic acid
SMILESCCC(F)(F)C(=O)O
InChIInChI=1S/C4H6F2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
InChIKeySBSKRVZFWQPJID-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutanoic acid?
The IUPAC name of 2,2-difluorobutanoic acid (CID 3711426) is 2,2-difluorobutanoic acid.
What is the SMILES notation for 2,2-difluorobutanoic acid?
The canonical SMILES for 2,2-difluorobutanoic acid is CCC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluorobutanoic acid?
The InChIKey is SBSKRVZFWQPJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8).
What are the key properties of 2,2-difluorobutanoic acid?
2,2-difluorobutanoic acid has a molecular weight of 124.09 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutanoic acid is sourced from PubChem (CID 3711426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).