7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole

C20H33FN2 — CID 170093636

IUPAC7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole
SMILESCCCC(C)/C=C/CC1(F)CCCc2nc(C)n(C)c2CCC1
InChIInChI=1S/C20H33FN2/c1-5-9-16(2)10-6-13-20(21)14-7-11-18-19(12-8-15-20)23(4)17(3)22-18/h6,10,16H,5,7-9,11-15H2,1-4H3/b10-6+
InChIKeyZUFFPEZQBQLXDO-UXBLZVDNSA-N
MW320.50 g/mol
LogP5.48
Rot. Bonds5

About 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole

7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole (PubChem CID 170093636) has the molecular formula C20H33FN2 and a molecular weight of 320.50 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole
PubChem CID170093636
Molecular FormulaC20H33FN2
Molecular Weight320.50 g/mol
Exact Mass320.26
IUPAC Name7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole
SMILESCCCC(C)/C=C/CC1(F)CCCc2nc(C)n(C)c2CCC1
InChIInChI=1S/C20H33FN2/c1-5-9-16(2)10-6-13-20(21)14-7-11-18-19(12-8-15-20)23(4)17(3)22-18/h6,10,16H,5,7-9,11-15H2,1-4H3/b10-6+
InChIKeyZUFFPEZQBQLXDO-UXBLZVDNSA-N
XLogP5.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole?
The IUPAC name of 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole (CID 170093636) is 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole?
The canonical SMILES for 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole is CCCC(C)/C=C/CC1(F)CCCc2nc(C)n(C)c2CCC1.
What is the InChIKey of 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole?
The InChIKey is ZUFFPEZQBQLXDO-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H33FN2/c1-5-9-16(2)10-6-13-20(21)14-7-11-18-19(12-8-15-20)23(4)17(3)22-18/h6,10,16H,5,7-9,11-15H2,1-4H3/b10-6+.
What are the key properties of 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole?
7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole has a molecular weight of 320.50 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-7-[(E)-4-methylhept-2-enyl]-4,5,6,8,9,10-hexahydrocyclonona[d]imidazole is sourced from PubChem (CID 170093636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).