9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

C24H13Cl2F32N3O2 — CID 3278705

IUPAC9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESO=C(NCCN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C24H13Cl2F32N3O2/c25-23(55,56)21(51,52)19(47,48)17(43,44)15(39,40)13(35,36)11(31,32)9(27,28)7(62)59-1-2-60-3-5-61(6-4-60)8(63)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(26,57)58/h1-6H2,(H,59,62)
InChIKeyULBXCXSJHWNHJK-UHFFFAOYSA-N
MW1054.23 g/mol
LogP9.80
Rot. Bonds19

About 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (PubChem CID 3278705) has the molecular formula C24H13Cl2F32N3O2 and a molecular weight of 1054.23 g/mol. Its IUPAC name is 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.

Molecular Properties

Compound Name9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
PubChem CID3278705
Molecular FormulaC24H13Cl2F32N3O2
Molecular Weight1054.23 g/mol
Exact Mass1052.99
IUPAC Name9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESO=C(NCCN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C24H13Cl2F32N3O2/c25-23(55,56)21(51,52)19(47,48)17(43,44)15(39,40)13(35,36)11(31,32)9(27,28)7(62)59-1-2-60-3-5-61(6-4-60)8(63)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(26,57)58/h1-6H2,(H,59,62)
InChIKeyULBXCXSJHWNHJK-UHFFFAOYSA-N
XLogP9.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.23
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The IUPAC name of 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (CID 3278705) is 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.
What is the SMILES notation for 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The canonical SMILES for 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is O=C(NCCN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The InChIKey is ULBXCXSJHWNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F32N3O2/c25-23(55,56)21(51,52)19(47,48)17(43,44)15(39,40)13(35,36)11(31,32)9(27,28)7(62)59-1-2-60-3-5-61(6-4-60)8(63)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(26,57)58/h1-6H2,(H,59,62).
What are the key properties of 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide has a molecular weight of 1054.23 g/mol, XLogP of 9.80, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-[2-[4-(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)piperazin-1-yl]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is sourced from PubChem (CID 3278705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).