3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene

C23H26FN — CID 166881052

IUPAC3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
SMILESCC=CCC1CC=C(F)C2=C1c1nccc3c1=C(C(C)(C)C=3)C2(C)C
InChIInChI=1S/C23H26FN/c1-6-7-8-14-9-10-16(24)19-17(14)20-18-15(11-12-25-20)13-22(2,3)21(18)23(19,4)5/h6-7,10-14H,8-9H2,1-5H3
InChIKeyKZXWVTLQYQXKCT-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.69
Rot. Bonds2

About 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene

3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene (PubChem CID 166881052) has the molecular formula C23H26FN and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene.

Molecular Properties

Compound Name3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
PubChem CID166881052
Molecular FormulaC23H26FN
Molecular Weight335.47 g/mol
Exact Mass335.20
IUPAC Name3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
SMILESCC=CCC1CC=C(F)C2=C1c1nccc3c1=C(C(C)(C)C=3)C2(C)C
InChIInChI=1S/C23H26FN/c1-6-7-8-14-9-10-16(24)19-17(14)20-18-15(11-12-25-20)13-22(2,3)21(18)23(19,4)5/h6-7,10-14H,8-9H2,1-5H3
InChIKeyKZXWVTLQYQXKCT-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
The IUPAC name of 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene (CID 166881052) is 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene.
What is the SMILES notation for 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
The canonical SMILES for 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene is CC=CCC1CC=C(F)C2=C1c1nccc3c1=C(C(C)(C)C=3)C2(C)C.
What is the InChIKey of 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
The InChIKey is KZXWVTLQYQXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN/c1-6-7-8-14-9-10-16(24)19-17(14)20-18-15(11-12-25-20)13-22(2,3)21(18)23(19,4)5/h6-7,10-14H,8-9H2,1-5H3.
What are the key properties of 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene has a molecular weight of 335.47 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene is sourced from PubChem (CID 166881052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).