1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one

C18H10F24N2O2 — CID 3262410

IUPAC1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C18H10F24N2O2/c19-5(20)9(23,24)13(31,32)17(39,40)15(35,36)11(27,28)7(45)43-1-2-44(4-3-43)8(46)12(29,30)16(37,38)18(41,42)14(33,34)10(25,26)6(21)22/h5-6H,1-4H2
InChIKeyJFFPXXAFKAINCD-UHFFFAOYSA-N
MW742.24 g/mol
LogP6.54
Rot. Bonds12

About 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one

1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one (PubChem CID 3262410) has the molecular formula C18H10F24N2O2 and a molecular weight of 742.24 g/mol. Its IUPAC name is 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one.

Molecular Properties

Compound Name1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
PubChem CID3262410
Molecular FormulaC18H10F24N2O2
Molecular Weight742.24 g/mol
Exact Mass742.04
IUPAC Name1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C18H10F24N2O2/c19-5(20)9(23,24)13(31,32)17(39,40)15(35,36)11(27,28)7(45)43-1-2-44(4-3-43)8(46)12(29,30)16(37,38)18(41,42)14(33,34)10(25,26)6(21)22/h5-6H,1-4H2
InChIKeyJFFPXXAFKAINCD-UHFFFAOYSA-N
XLogP6.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.24
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The IUPAC name of 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one (CID 3262410) is 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one.
What is the SMILES notation for 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The canonical SMILES for 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one is O=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The InChIKey is JFFPXXAFKAINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F24N2O2/c19-5(20)9(23,24)13(31,32)17(39,40)15(35,36)11(27,28)7(45)43-1-2-44(4-3-43)8(46)12(29,30)16(37,38)18(41,42)14(33,34)10(25,26)6(21)22/h5-6H,1-4H2.
What are the key properties of 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one has a molecular weight of 742.24 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one is sourced from PubChem (CID 3262410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).