1-chloro-1,1,5,5,5-pentafluoropentan-2-one

C5H4ClF5O — CID 112574854

IUPAC1-chloro-1,1,5,5,5-pentafluoropentan-2-one
SMILESO=C(CCC(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C5H4ClF5O/c6-5(10,11)3(12)1-2-4(7,8)9/h1-2H2
InChIKeyCQLUNWSDNSSDGR-UHFFFAOYSA-N
MW210.53 g/mol
LogP2.73
Rot. Bonds3

About 1-chloro-1,1,5,5,5-pentafluoropentan-2-one

1-chloro-1,1,5,5,5-pentafluoropentan-2-one (PubChem CID 112574854) has the molecular formula C5H4ClF5O and a molecular weight of 210.53 g/mol. Its IUPAC name is 1-chloro-1,1,5,5,5-pentafluoropentan-2-one.

Molecular Properties

Compound Name1-chloro-1,1,5,5,5-pentafluoropentan-2-one
PubChem CID112574854
Molecular FormulaC5H4ClF5O
Molecular Weight210.53 g/mol
Exact Mass209.99
IUPAC Name1-chloro-1,1,5,5,5-pentafluoropentan-2-one
SMILESO=C(CCC(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C5H4ClF5O/c6-5(10,11)3(12)1-2-4(7,8)9/h1-2H2
InChIKeyCQLUNWSDNSSDGR-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.53
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1,1,1-trifluoro-5-hydroxyheptan-4-one
CID 103447033
1-chloro-5,5,5-trifluoropentan-2-one
CID 79002115
2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one
CID 116593115
1-chloro-4-cyclohexyl-1,1-difluorobutan-2-one
CID 10867956
5-(aminomethyl)-1,1,1-trifluoro-5-methylheptan-4-one
CID 116611006
ethyl 6,6,6-trifluoro-2,2-dimethyl-3-oxohexanoate
CID 79964069
6,6,6-trifluoro-2-hydroxyhexan-3-one
CID 103451387
12,12,12-trifluorododecanoyl chloride
CID 19105159
1-chloro-4,4,4-trifluorobutane-1,1-diol
CID 156773076
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
1,1,1-trifluorooctan-4-one
CID 79404361
5,5-dichlorooctan-4-one
CID 10987199

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,5,5,5-pentafluoropentan-2-one?
The IUPAC name of 1-chloro-1,1,5,5,5-pentafluoropentan-2-one (CID 112574854) is 1-chloro-1,1,5,5,5-pentafluoropentan-2-one.
What is the SMILES notation for 1-chloro-1,1,5,5,5-pentafluoropentan-2-one?
The canonical SMILES for 1-chloro-1,1,5,5,5-pentafluoropentan-2-one is O=C(CCC(F)(F)F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1,5,5,5-pentafluoropentan-2-one?
The InChIKey is CQLUNWSDNSSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF5O/c6-5(10,11)3(12)1-2-4(7,8)9/h1-2H2.
What are the key properties of 1-chloro-1,1,5,5,5-pentafluoropentan-2-one?
1-chloro-1,1,5,5,5-pentafluoropentan-2-one has a molecular weight of 210.53 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,5,5,5-pentafluoropentan-2-one is sourced from PubChem (CID 112574854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).