2,4,4,4-tetrafluorobutanoic acid

C4H4F4O2 — CID 24794893

IUPAC2,4,4,4-tetrafluorobutanoic acid
SMILESO=C(O)C(F)CC(F)(F)F
InChIInChI=1S/C4H4F4O2/c5-2(3(9)10)1-4(6,7)8/h2H,1H2,(H,9,10)
InChIKeyOEVPZAWBFKDWSI-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.36
Rot. Bonds2

About 2,4,4,4-tetrafluorobutanoic acid

2,4,4,4-tetrafluorobutanoic acid (PubChem CID 24794893) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 2,4,4,4-tetrafluorobutanoic acid.

Molecular Properties

Compound Name2,4,4,4-tetrafluorobutanoic acid
PubChem CID24794893
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name2,4,4,4-tetrafluorobutanoic acid
SMILESO=C(O)C(F)CC(F)(F)F
InChIInChI=1S/C4H4F4O2/c5-2(3(9)10)1-4(6,7)8/h2H,1H2,(H,9,10)
InChIKeyOEVPZAWBFKDWSI-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluorobutanoic acid?
The IUPAC name of 2,4,4,4-tetrafluorobutanoic acid (CID 24794893) is 2,4,4,4-tetrafluorobutanoic acid.
What is the SMILES notation for 2,4,4,4-tetrafluorobutanoic acid?
The canonical SMILES for 2,4,4,4-tetrafluorobutanoic acid is O=C(O)C(F)CC(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluorobutanoic acid?
The InChIKey is OEVPZAWBFKDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c5-2(3(9)10)1-4(6,7)8/h2H,1H2,(H,9,10).
What are the key properties of 2,4,4,4-tetrafluorobutanoic acid?
2,4,4,4-tetrafluorobutanoic acid has a molecular weight of 160.07 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluorobutanoic acid is sourced from PubChem (CID 24794893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).