1,1,1,3,3-pentafluorobutan-2-one

C4H3F5O — CID 21483509

IUPAC1,1,1,3,3-pentafluorobutan-2-one
SMILESCC(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C4H3F5O/c1-3(5,6)2(10)4(7,8)9/h1H3
InChIKeyUBIHUDYUBRTCFK-UHFFFAOYSA-N
MW162.06 g/mol
LogP1.77
Rot. Bonds1

About 1,1,1,3,3-pentafluorobutan-2-one

1,1,1,3,3-pentafluorobutan-2-one (PubChem CID 21483509) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluorobutan-2-one.

Molecular Properties

Compound Name1,1,1,3,3-pentafluorobutan-2-one
PubChem CID21483509
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name1,1,1,3,3-pentafluorobutan-2-one
SMILESCC(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C4H3F5O/c1-3(5,6)2(10)4(7,8)9/h1H3
InChIKeyUBIHUDYUBRTCFK-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluorobutan-2-one?
The IUPAC name of 1,1,1,3,3-pentafluorobutan-2-one (CID 21483509) is 1,1,1,3,3-pentafluorobutan-2-one.
What is the SMILES notation for 1,1,1,3,3-pentafluorobutan-2-one?
The canonical SMILES for 1,1,1,3,3-pentafluorobutan-2-one is CC(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluorobutan-2-one?
The InChIKey is UBIHUDYUBRTCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c1-3(5,6)2(10)4(7,8)9/h1H3.
What are the key properties of 1,1,1,3,3-pentafluorobutan-2-one?
1,1,1,3,3-pentafluorobutan-2-one has a molecular weight of 162.06 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluorobutan-2-one is sourced from PubChem (CID 21483509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).