2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid

C8H10F4O4 — CID 57164506

IUPAC2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid
SMILESCC(F)(F)C(OC(=O)CC(F)CF)C(=O)O
InChIInChI=1S/C8H10F4O4/c1-8(11,12)6(7(14)15)16-5(13)2-4(10)3-9/h4,6H,2-3H2,1H3,(H,14,15)
InChIKeyVVSQIIVBTZUFOX-UHFFFAOYSA-N
MW246.16 g/mol
LogP1.34
Rot. Bonds6

About 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid

2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid (PubChem CID 57164506) has the molecular formula C8H10F4O4 and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid.

Molecular Properties

Compound Name2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid
PubChem CID57164506
Molecular FormulaC8H10F4O4
Molecular Weight246.16 g/mol
Exact Mass246.05
IUPAC Name2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid
SMILESCC(F)(F)C(OC(=O)CC(F)CF)C(=O)O
InChIInChI=1S/C8H10F4O4/c1-8(11,12)6(7(14)15)16-5(13)2-4(10)3-9/h4,6H,2-3H2,1H3,(H,14,15)
InChIKeyVVSQIIVBTZUFOX-UHFFFAOYSA-N
XLogP1.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid?
The IUPAC name of 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid (CID 57164506) is 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid.
What is the SMILES notation for 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid?
The canonical SMILES for 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid is CC(F)(F)C(OC(=O)CC(F)CF)C(=O)O.
What is the InChIKey of 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid?
The InChIKey is VVSQIIVBTZUFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O4/c1-8(11,12)6(7(14)15)16-5(13)2-4(10)3-9/h4,6H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid?
2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid has a molecular weight of 246.16 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorobutanoyloxy)-3,3-difluorobutanoic acid is sourced from PubChem (CID 57164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).