2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide

C17H12F19NO — CID 21354916

IUPAC2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide
SMILESC=CCN(CC=C)C(=O)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C17H12F19NO/c1-3-5-37(6-4-2)8(38)7(18)10(21,22)12(25,26)14(29,30)16(33,34)17(35,36)15(31,32)13(27,28)11(23,24)9(19)20/h3-4,7,9H,1-2,5-6H2
InChIKeyCRWGXJAVEXOHTI-UHFFFAOYSA-N
MW607.25 g/mol
LogP6.87
Rot. Bonds14

About 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide (PubChem CID 21354916) has the molecular formula C17H12F19NO and a molecular weight of 607.25 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide
PubChem CID21354916
Molecular FormulaC17H12F19NO
Molecular Weight607.25 g/mol
Exact Mass607.06
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide
SMILESC=CCN(CC=C)C(=O)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C17H12F19NO/c1-3-5-37(6-4-2)8(38)7(18)10(21,22)12(25,26)14(29,30)16(33,34)17(35,36)15(31,32)13(27,28)11(23,24)9(19)20/h3-4,7,9H,1-2,5-6H2
InChIKeyCRWGXJAVEXOHTI-UHFFFAOYSA-N
XLogP6.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.25
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide (CID 21354916) is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide is C=CCN(CC=C)C(=O)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide?
The InChIKey is CRWGXJAVEXOHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F19NO/c1-3-5-37(6-4-2)8(38)7(18)10(21,22)12(25,26)14(29,30)16(33,34)17(35,36)15(31,32)13(27,28)11(23,24)9(19)20/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide?
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide has a molecular weight of 607.25 g/mol, XLogP of 6.87, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide is sourced from PubChem (CID 21354916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).