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

C19H16F5NO — CID 139780598

IUPACN-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
SMILESC/C=C/CCc1ccc(/C=N/c2cc(F)c(OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C19H16F5NO/c1-2-3-4-5-13-6-8-14(9-7-13)12-25-15-10-16(20)18(17(21)11-15)26-19(22,23)24/h2-3,6-12H,4-5H2,1H3/b3-2+,25-12+
InChIKeyZTESZIIIVRAPGP-JRUCXRJDSA-N
MW369.33 g/mol
LogP6.12
Rot. Bonds6

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

N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine (PubChem CID 139780598) has the molecular formula C19H16F5NO and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
PubChem CID139780598
Molecular FormulaC19H16F5NO
Molecular Weight369.33 g/mol
Exact Mass369.12
IUPAC NameN-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
SMILESC/C=C/CCc1ccc(/C=N/c2cc(F)c(OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C19H16F5NO/c1-2-3-4-5-13-6-8-14(9-7-13)12-25-15-10-16(20)18(17(21)11-15)26-19(22,23)24/h2-3,6-12H,4-5H2,1H3/b3-2+,25-12+
InChIKeyZTESZIIIVRAPGP-JRUCXRJDSA-N
XLogP6.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.33
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-difluoro-5-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]-2-(trifluoromethoxy)benzene
CID 139750895
N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
CID 139780616
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
CID 139870822
4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
CID 139780621
2-[3-chloro-4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-fluorophenyl]-5-[[2,6-difluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 89475892
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1-fluoro-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139850611
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139851474
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
2-fluoro-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]-1-(trifluoromethoxy)benzene
CID 139750903
1,3-difluoro-5-(4-pent-3-enylphenyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 139764142
1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene
CID 54261230

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
The IUPAC name of N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine (CID 139780598) is N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine.
What is the SMILES notation for N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
The canonical SMILES for N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine is C/C=C/CCc1ccc(/C=N/c2cc(F)c(OC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
The InChIKey is ZTESZIIIVRAPGP-JRUCXRJDSA-N. The full InChI is InChI=1S/C19H16F5NO/c1-2-3-4-5-13-6-8-14(9-7-13)12-25-15-10-16(20)18(17(21)11-15)26-19(22,23)24/h2-3,6-12H,4-5H2,1H3/b3-2+,25-12+.
What are the key properties of N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine?
N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine has a molecular weight of 369.33 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine is sourced from PubChem (CID 139780598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).