9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane

C18H4Cl2F32O2 — CID 54564241

IUPAC9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
SMILESFC(F)(CCl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCl
InChIInChI=1S/C18H4Cl2F32O2/c19-1-3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)53-54-18(51,52)16(47,48)14(43,44)12(39,40)10(35,36)8(31,32)6(27,28)4(23,24)2-20/h1-2H2
InChIKeyZSRVBVSGQUKYQW-UHFFFAOYSA-N
MW931.07 g/mol
LogP11.49
Rot. Bonds19

About 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane

9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane (PubChem CID 54564241) has the molecular formula C18H4Cl2F32O2 and a molecular weight of 931.07 g/mol. Its IUPAC name is 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane.

Molecular Properties

Compound Name9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
PubChem CID54564241
Molecular FormulaC18H4Cl2F32O2
Molecular Weight931.07 g/mol
Exact Mass929.91
IUPAC Name9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
SMILESFC(F)(CCl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCl
InChIInChI=1S/C18H4Cl2F32O2/c19-1-3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)53-54-18(51,52)16(47,48)14(43,44)12(39,40)10(35,36)8(31,32)6(27,28)4(23,24)2-20/h1-2H2
InChIKeyZSRVBVSGQUKYQW-UHFFFAOYSA-N
XLogP11.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.07
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060
(4-chloro-1,1,2,2,3,3-hexafluorobutyl) 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexaneperoxoate
CID 87704915
4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol
CID 142726898
6-(1,1,2,2,3,3,4,4,5,5-decafluoro-5-hydroxypentyl)peroxy-2,2,3,3,4,4,5,5,7,7-decafluorohept-6-en-1-ol
CID 21354878
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
CID 174993252
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 91447807
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
2,2,3,3,4,4,5,5,6,6-decafluoro-6-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethoxy]hexan-1-ol
CID 54468451
6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454570
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl 2-chloroacetate
CID 178076325
lithium 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 177498065
2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
CID 151942981

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
The IUPAC name of 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane (CID 54564241) is 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane.
What is the SMILES notation for 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
The canonical SMILES for 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane is FC(F)(CCl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCl.
What is the InChIKey of 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
The InChIKey is ZSRVBVSGQUKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H4Cl2F32O2/c19-1-3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)53-54-18(51,52)16(47,48)14(43,44)12(39,40)10(35,36)8(31,32)6(27,28)4(23,24)2-20/h1-2H2.
What are the key properties of 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane has a molecular weight of 931.07 g/mol, XLogP of 11.49, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane is sourced from PubChem (CID 54564241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).