4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide

C28H23F30N3O3 — CID 87214897

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide
SMILESC=C(C)C(=O)N(CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C28H23F30N3O3/c1-11(2)14(64)61(9-7-59-12(62)3-5-15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)25(49,50)27(53,54)55)10-8-60-13(63)4-6-16(31,32)18(35,36)20(39,40)22(43,44)24(47,48)26(51,52)28(56,57)58/h1,3-10H2,2H3,(H,59,62)(H,60,63)
InChIKeyXZNUEVFXDUIVQX-UHFFFAOYSA-N
MW1019.45 g/mol
LogP9.93
Rot. Bonds23

About 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide (PubChem CID 87214897) has the molecular formula C28H23F30N3O3 and a molecular weight of 1019.45 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide
PubChem CID87214897
Molecular FormulaC28H23F30N3O3
Molecular Weight1019.45 g/mol
Exact Mass1019.13
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide
SMILESC=C(C)C(=O)N(CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C28H23F30N3O3/c1-11(2)14(64)61(9-7-59-12(62)3-5-15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)25(49,50)27(53,54)55)10-8-60-13(63)4-6-16(31,32)18(35,36)20(39,40)22(43,44)24(47,48)26(51,52)28(56,57)58/h1,3-10H2,2H3,(H,59,62)(H,60,63)
InChIKeyXZNUEVFXDUIVQX-UHFFFAOYSA-N
XLogP9.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.45
LogP ≤ 59.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide (CID 87214897) is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide is C=C(C)C(=O)N(CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide?
The InChIKey is XZNUEVFXDUIVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F30N3O3/c1-11(2)14(64)61(9-7-59-12(62)3-5-15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)25(49,50)27(53,54)55)10-8-60-13(63)4-6-16(31,32)18(35,36)20(39,40)22(43,44)24(47,48)26(51,52)28(56,57)58/h1,3-10H2,2H3,(H,59,62)(H,60,63).
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide?
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide has a molecular weight of 1019.45 g/mol, XLogP of 9.93, 23 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-N-[2-[2-methylprop-2-enoyl-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethyl]amino]ethyl]decanamide is sourced from PubChem (CID 87214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).