8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine

C23H35ClFN — CID 91119667

IUPAC8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine
SMILES[H]/N=C(\CCC)C(CCCCl)c1ccc(F)c(CCC2CCCCCC2)c1
InChIInChI=1S/C23H35ClFN/c1-2-8-23(26)21(11-7-16-24)19-14-15-22(25)20(17-19)13-12-18-9-5-3-4-6-10-18/h14-15,17-18,21,26H,2-13,16H2,1H3/b26-23+
InChIKeyPNOADDNKNMZYDS-WNAAXNPUSA-N
MW379.99 g/mol
LogP7.65
Rot. Bonds10

About 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine

8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine (PubChem CID 91119667) has the molecular formula C23H35ClFN and a molecular weight of 379.99 g/mol. Its IUPAC name is 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine.

Molecular Properties

Compound Name8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine
PubChem CID91119667
Molecular FormulaC23H35ClFN
Molecular Weight379.99 g/mol
Exact Mass379.24
IUPAC Name8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine
SMILES[H]/N=C(\CCC)C(CCCCl)c1ccc(F)c(CCC2CCCCCC2)c1
InChIInChI=1S/C23H35ClFN/c1-2-8-23(26)21(11-7-16-24)19-14-15-22(25)20(17-19)13-12-18-9-5-3-4-6-10-18/h14-15,17-18,21,26H,2-13,16H2,1H3/b26-23+
InChIKeyPNOADDNKNMZYDS-WNAAXNPUSA-N
XLogP7.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.99
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine?
The IUPAC name of 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine (CID 91119667) is 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine.
What is the SMILES notation for 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine?
The canonical SMILES for 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine is [H]/N=C(\CCC)C(CCCCl)c1ccc(F)c(CCC2CCCCCC2)c1.
What is the InChIKey of 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine?
The InChIKey is PNOADDNKNMZYDS-WNAAXNPUSA-N. The full InChI is InChI=1S/C23H35ClFN/c1-2-8-23(26)21(11-7-16-24)19-14-15-22(25)20(17-19)13-12-18-9-5-3-4-6-10-18/h14-15,17-18,21,26H,2-13,16H2,1H3/b26-23+.
What are the key properties of 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine?
8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine has a molecular weight of 379.99 g/mol, XLogP of 7.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[3-(2-cycloheptylethyl)-4-fluorophenyl]octan-4-imine is sourced from PubChem (CID 91119667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).