3,4,4,4-tetrafluorobutan-2-one

C4H4F4O — CID 23262270

IUPAC3,4,4,4-tetrafluorobutan-2-one
SMILESCC(=O)C(F)C(F)(F)F
InChIInChI=1S/C4H4F4O/c1-2(9)3(5)4(6,7)8/h3H,1H3
InChIKeyMFOQKYXGXHZFDL-UHFFFAOYSA-N
MW144.07 g/mol
LogP1.48
Rot. Bonds1

About 3,4,4,4-tetrafluorobutan-2-one

3,4,4,4-tetrafluorobutan-2-one (PubChem CID 23262270) has the molecular formula C4H4F4O and a molecular weight of 144.07 g/mol. Its IUPAC name is 3,4,4,4-tetrafluorobutan-2-one.

Molecular Properties

Compound Name3,4,4,4-tetrafluorobutan-2-one
PubChem CID23262270
Molecular FormulaC4H4F4O
Molecular Weight144.07 g/mol
Exact Mass144.02
IUPAC Name3,4,4,4-tetrafluorobutan-2-one
SMILESCC(=O)C(F)C(F)(F)F
InChIInChI=1S/C4H4F4O/c1-2(9)3(5)4(6,7)8/h3H,1H3
InChIKeyMFOQKYXGXHZFDL-UHFFFAOYSA-N
XLogP1.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.07
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluorobutan-2-one?
The IUPAC name of 3,4,4,4-tetrafluorobutan-2-one (CID 23262270) is 3,4,4,4-tetrafluorobutan-2-one.
What is the SMILES notation for 3,4,4,4-tetrafluorobutan-2-one?
The canonical SMILES for 3,4,4,4-tetrafluorobutan-2-one is CC(=O)C(F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluorobutan-2-one?
The InChIKey is MFOQKYXGXHZFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O/c1-2(9)3(5)4(6,7)8/h3H,1H3.
What are the key properties of 3,4,4,4-tetrafluorobutan-2-one?
3,4,4,4-tetrafluorobutan-2-one has a molecular weight of 144.07 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluorobutan-2-one is sourced from PubChem (CID 23262270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).