5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one

C14H8Cl2F16N2O2 — CID 3708662

IUPAC5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C14H8Cl2F16N2O2/c15-13(29,30)11(25,26)9(21,22)7(17,18)5(35)33-1-2-34(4-3-33)6(36)8(19,20)10(23,24)12(27,28)14(16,31)32/h1-4H2
InChIKeyRNGVFGHJDWVBNV-UHFFFAOYSA-N
MW611.10 g/mol
LogP5.13
Rot. Bonds8

About 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one

5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one (PubChem CID 3708662) has the molecular formula C14H8Cl2F16N2O2 and a molecular weight of 611.10 g/mol. Its IUPAC name is 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one.

Molecular Properties

Compound Name5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one
PubChem CID3708662
Molecular FormulaC14H8Cl2F16N2O2
Molecular Weight611.10 g/mol
Exact Mass609.97
IUPAC Name5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C14H8Cl2F16N2O2/c15-13(29,30)11(25,26)9(21,22)7(17,18)5(35)33-1-2-34(4-3-33)6(36)8(19,20)10(23,24)12(27,28)14(16,31)32/h1-4H2
InChIKeyRNGVFGHJDWVBNV-UHFFFAOYSA-N
XLogP5.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.10
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one with MolForge

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Related Compounds

4-Chloro-1-[4-(4-chloro-2,2,3,3,4,4-hexafluorobutanoyl)piperazin-1-yl]-2,2,3,3,4,4-hexafluorobutan-1-one
CID 3089068
6-Chloro-1-[4-(6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-one
CID 3089644
9-Chloro-1-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 3089648
9-Chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-(4-methylpiperazin-1-yl)nonan-1-one
CID 3357684
6-Chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one
CID 3412650
5-chloro-N-[2-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5-octafluoropentanamide
CID 3472557
9-Chloro-1-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)-2,5-dimethylpiperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 3621584
4-chloro-N-[2-[4-(4-chloro-2,2,3,3,4,4-hexafluorobutanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4-hexafluorobutanamide
CID 4114266
9-Chloro-1-(4-ethylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 4120977
6-chloro-N-[2-[4-(6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 4676532
4-Chloro-2,2,3,3,4,4-hexafluoro-1-piperidin-1-ylbutan-1-one
CID 4694797
1,1'-Piperazine-1,4-diylbis(2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one)
CID 5071268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one?
The IUPAC name of 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one (CID 3708662) is 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one.
What is the SMILES notation for 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one?
The canonical SMILES for 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one is O=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one?
The InChIKey is RNGVFGHJDWVBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F16N2O2/c15-13(29,30)11(25,26)9(21,22)7(17,18)5(35)33-1-2-34(4-3-33)6(36)8(19,20)10(23,24)12(27,28)14(16,31)32/h1-4H2.
What are the key properties of 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one?
5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one has a molecular weight of 611.10 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one is sourced from PubChem (CID 3708662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).