2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine

C24H36FNO — CID 145023908

IUPAC2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine
SMILESC=C(CCC(C)COCCC)c1ccc(C(=C)/N=C(\CC)C(C)(C)F)cc1
InChIInChI=1S/C24H36FNO/c1-8-16-27-17-18(3)10-11-19(4)21-12-14-22(15-13-21)20(5)26-23(9-2)24(6,7)25/h12-15,18H,4-5,8-11,16-17H2,1-3,6-7H3/b26-23+
InChIKeyPVXVQCYQCUUTCV-WNAAXNPUSA-N
MW373.56 g/mol
LogP7.11
Rot. Bonds12

About 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine

2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine (PubChem CID 145023908) has the molecular formula C24H36FNO and a molecular weight of 373.56 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine
PubChem CID145023908
Molecular FormulaC24H36FNO
Molecular Weight373.56 g/mol
Exact Mass373.28
IUPAC Name2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine
SMILESC=C(CCC(C)COCCC)c1ccc(C(=C)/N=C(\CC)C(C)(C)F)cc1
InChIInChI=1S/C24H36FNO/c1-8-16-27-17-18(3)10-11-19(4)21-12-14-22(15-13-21)20(5)26-23(9-2)24(6,7)25/h12-15,18H,4-5,8-11,16-17H2,1-3,6-7H3/b26-23+
InChIKeyPVXVQCYQCUUTCV-WNAAXNPUSA-N
XLogP7.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine?
The IUPAC name of 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine (CID 145023908) is 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine.
What is the SMILES notation for 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine?
The canonical SMILES for 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine is C=C(CCC(C)COCCC)c1ccc(C(=C)/N=C(\CC)C(C)(C)F)cc1.
What is the InChIKey of 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine?
The InChIKey is PVXVQCYQCUUTCV-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H36FNO/c1-8-16-27-17-18(3)10-11-19(4)21-12-14-22(15-13-21)20(5)26-23(9-2)24(6,7)25/h12-15,18H,4-5,8-11,16-17H2,1-3,6-7H3/b26-23+.
What are the key properties of 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine?
2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine has a molecular weight of 373.56 g/mol, XLogP of 7.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine is sourced from PubChem (CID 145023908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).