4-chloro-3,4,5,5,5-pentafluoropentan-2-one

C5H4ClF5O — CID 59123625

IUPAC4-chloro-3,4,5,5,5-pentafluoropentan-2-one
SMILESCC(=O)C(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C5H4ClF5O/c1-2(12)3(7)4(6,8)5(9,10)11/h3H,1H3
InChIKeyGLPJOALTXVZQLM-UHFFFAOYSA-N
MW210.53 g/mol
LogP2.38
Rot. Bonds2

About 4-chloro-3,4,5,5,5-pentafluoropentan-2-one

4-chloro-3,4,5,5,5-pentafluoropentan-2-one (PubChem CID 59123625) has the molecular formula C5H4ClF5O and a molecular weight of 210.53 g/mol. Its IUPAC name is 4-chloro-3,4,5,5,5-pentafluoropentan-2-one.

Molecular Properties

Compound Name4-chloro-3,4,5,5,5-pentafluoropentan-2-one
PubChem CID59123625
Molecular FormulaC5H4ClF5O
Molecular Weight210.53 g/mol
Exact Mass209.99
IUPAC Name4-chloro-3,4,5,5,5-pentafluoropentan-2-one
SMILESCC(=O)C(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C5H4ClF5O/c1-2(12)3(7)4(6,8)5(9,10)11/h3H,1H3
InChIKeyGLPJOALTXVZQLM-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.53
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,4,5,5,5-pentafluoropentan-2-one?
The IUPAC name of 4-chloro-3,4,5,5,5-pentafluoropentan-2-one (CID 59123625) is 4-chloro-3,4,5,5,5-pentafluoropentan-2-one.
What is the SMILES notation for 4-chloro-3,4,5,5,5-pentafluoropentan-2-one?
The canonical SMILES for 4-chloro-3,4,5,5,5-pentafluoropentan-2-one is CC(=O)C(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 4-chloro-3,4,5,5,5-pentafluoropentan-2-one?
The InChIKey is GLPJOALTXVZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF5O/c1-2(12)3(7)4(6,8)5(9,10)11/h3H,1H3.
What are the key properties of 4-chloro-3,4,5,5,5-pentafluoropentan-2-one?
4-chloro-3,4,5,5,5-pentafluoropentan-2-one has a molecular weight of 210.53 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,4,5,5,5-pentafluoropentan-2-one is sourced from PubChem (CID 59123625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).