N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine

C24H19F4N — CID 139780616

IUPACN-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
SMILESC/C=C/CCc1ccc(/C=N/c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C24H19F4N/c1-2-3-4-5-16-6-8-17(9-7-16)15-29-19-10-11-20(21(25)14-19)18-12-22(26)24(28)23(27)13-18/h2-3,6-15H,4-5H2,1H3/b3-2+,29-15+
InChIKeyYNKYKTBJSXEQIX-MQIDDKFBSA-N
MW397.42 g/mol
LogP7.17
Rot. Bonds6

About N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine

N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine (PubChem CID 139780616) has the molecular formula C24H19F4N and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
PubChem CID139780616
Molecular FormulaC24H19F4N
Molecular Weight397.42 g/mol
Exact Mass397.15
IUPAC NameN-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
SMILESC/C=C/CCc1ccc(/C=N/c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C24H19F4N/c1-2-3-4-5-16-6-8-17(9-7-16)15-29-19-10-11-20(21(25)14-19)18-12-22(26)24(28)23(27)13-18/h2-3,6-15H,4-5H2,1H3/b3-2+,29-15+
InChIKeyYNKYKTBJSXEQIX-MQIDDKFBSA-N
XLogP7.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.42
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-[2-fluoro-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 139799028
N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
CID 139780598
4-[3-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzenethiol
CID 129130534
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
CID 139780621
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1,3-difluoro-5-[2-fluoro-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]-2-(trifluoromethyl)benzene
CID 144975618
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
The IUPAC name of N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine (CID 139780616) is N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine.
What is the SMILES notation for N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
The canonical SMILES for N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine is C/C=C/CCc1ccc(/C=N/c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.
What is the InChIKey of N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
The InChIKey is YNKYKTBJSXEQIX-MQIDDKFBSA-N. The full InChI is InChI=1S/C24H19F4N/c1-2-3-4-5-16-6-8-17(9-7-16)15-29-19-10-11-20(21(25)14-19)18-12-22(26)24(28)23(27)13-18/h2-3,6-15H,4-5H2,1H3/b3-2+,29-15+.
What are the key properties of N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine has a molecular weight of 397.42 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine is sourced from PubChem (CID 139780616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).