N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline

C23H15F7N2 — CID 3579255

IUPACN-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
SMILESFc1ccc(C(=C/C=N/c2ccc(C(F)(F)F)cc2)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H15F7N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H/b21-13?,31-14+
InChIKeyNRXODAOGERLGLD-SDEBCNEGSA-N
MW452.37 g/mol
LogP7.72
Rot. Bonds5

About N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline

N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline (PubChem CID 3579255) has the molecular formula C23H15F7N2 and a molecular weight of 452.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
PubChem CID3579255
Molecular FormulaC23H15F7N2
Molecular Weight452.37 g/mol
Exact Mass452.11
IUPAC NameN-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
SMILESFc1ccc(C(=C/C=N/c2ccc(C(F)(F)F)cc2)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H15F7N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H/b21-13?,31-14+
InChIKeyNRXODAOGERLGLD-SDEBCNEGSA-N
XLogP7.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.37
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 2801837
N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 5053889
3-(4-methylphenyl)sulfanyl-N,3-bis[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 173118018
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838434
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766783
N,N'-bis(4-fluorophenyl)methanimidamide
CID 101435045

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline (CID 3579255) is N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline is Fc1ccc(C(=C/C=N/c2ccc(C(F)(F)F)cc2)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
The InChIKey is NRXODAOGERLGLD-SDEBCNEGSA-N. The full InChI is InChI=1S/C23H15F7N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H/b21-13?,31-14+.
What are the key properties of N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline has a molecular weight of 452.37 g/mol, XLogP of 7.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 3579255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).