(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene

C20H24FN — CID 139335626

IUPAC(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene
SMILESC=C1/C=C\C(C)=C(\C=C/C)C(=C)C(C)/C=C\C=C(\F)C(=C)N1
InChIInChI=1S/C20H24FN/c1-7-9-19-15(3)12-13-16(4)22-18(6)20(21)11-8-10-14(2)17(19)5/h7-14,22H,4-6H2,1-3H3/b9-7-,10-8-,13-12-,19-15-,20-11+
InChIKeyYKBQOHVFSWBYNB-XWGPBFAUSA-N
MW297.42 g/mol
LogP5.67
Rot. Bonds1

About (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene

(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene (PubChem CID 139335626) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene.

Molecular Properties

Compound Name(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene
PubChem CID139335626
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC Name(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene
SMILESC=C1/C=C\C(C)=C(\C=C/C)C(=C)C(C)/C=C\C=C(\F)C(=C)N1
InChIInChI=1S/C20H24FN/c1-7-9-19-15(3)12-13-16(4)22-18(6)20(21)11-8-10-14(2)17(19)5/h7-14,22H,4-6H2,1-3H3/b9-7-,10-8-,13-12-,19-15-,20-11+
InChIKeyYKBQOHVFSWBYNB-XWGPBFAUSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene?
The IUPAC name of (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene (CID 139335626) is (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene.
What is the SMILES notation for (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene?
The canonical SMILES for (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene is C=C1/C=C\C(C)=C(\C=C/C)C(=C)C(C)/C=C\C=C(\F)C(=C)N1.
What is the InChIKey of (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene?
The InChIKey is YKBQOHVFSWBYNB-XWGPBFAUSA-N. The full InChI is InChI=1S/C20H24FN/c1-7-9-19-15(3)12-13-16(4)22-18(6)20(21)11-8-10-14(2)17(19)5/h7-14,22H,4-6H2,1-3H3/b9-7-,10-8-,13-12-,19-15-,20-11+.
What are the key properties of (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene?
(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene has a molecular weight of 297.42 g/mol, XLogP of 5.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene is sourced from PubChem (CID 139335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).