undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate

C18H26F7NO3 — CID 6425711

IUPACundec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H26F7NO3/c1-3-4-5-6-7-8-9-10-11-12-29-14(27)13(2)26-15(28)16(19,20)17(21,22)18(23,24)25/h3,13H,1,4-12H2,2H3,(H,26,28)
InChIKeyALTBZBCQRUWCIA-UHFFFAOYSA-N
MW437.40 g/mol
LogP5.17
Rot. Bonds14

About undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate

undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate (PubChem CID 6425711) has the molecular formula C18H26F7NO3 and a molecular weight of 437.40 g/mol. Its IUPAC name is undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
PubChem CID6425711
Molecular FormulaC18H26F7NO3
Molecular Weight437.40 g/mol
Exact Mass437.18
IUPAC Nameundec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H26F7NO3/c1-3-4-5-6-7-8-9-10-11-12-29-14(27)13(2)26-15(28)16(19,20)17(21,22)18(23,24)25/h3,13H,1,4-12H2,2H3,(H,26,28)
InChIKeyALTBZBCQRUWCIA-UHFFFAOYSA-N
XLogP5.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate?
The IUPAC name of undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate (CID 6425711) is undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate.
What is the SMILES notation for undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate?
The canonical SMILES for undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate is C=CCCCCCCCCCOC(=O)C(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate?
The InChIKey is ALTBZBCQRUWCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F7NO3/c1-3-4-5-6-7-8-9-10-11-12-29-14(27)13(2)26-15(28)16(19,20)17(21,22)18(23,24)25/h3,13H,1,4-12H2,2H3,(H,26,28).
What are the key properties of undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate?
undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate has a molecular weight of 437.40 g/mol, XLogP of 5.17, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate is sourced from PubChem (CID 6425711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).