N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine

C23H18F5N — CID 143471976

IUPACN-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine
SMILESC/C=N/[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F5N/c1-2-29-22(15-16-6-4-3-5-7-16,17-8-10-20(24)11-9-17)18-12-19(23(26,27)28)14-21(25)13-18/h2-14H,15H2,1H3/b29-2+/t22-/m1/s1
InChIKeyRJKADRCEIGINKR-ULGVFGSDSA-N
MW403.39 g/mol
LogP6.56
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine

N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine (PubChem CID 143471976) has the molecular formula C23H18F5N and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine
PubChem CID143471976
Molecular FormulaC23H18F5N
Molecular Weight403.39 g/mol
Exact Mass403.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine
SMILESC/C=N/[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F5N/c1-2-29-22(15-16-6-4-3-5-7-16,17-8-10-20(24)11-9-17)18-12-19(23(26,27)28)14-21(25)13-18/h2-14H,15H2,1H3/b29-2+/t22-/m1/s1
InChIKeyRJKADRCEIGINKR-ULGVFGSDSA-N
XLogP6.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.39
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine (CID 143471976) is N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine is C/C=N/[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine?
The InChIKey is RJKADRCEIGINKR-ULGVFGSDSA-N. The full InChI is InChI=1S/C23H18F5N/c1-2-29-22(15-16-6-4-3-5-7-16,17-8-10-20(24)11-9-17)18-12-19(23(26,27)28)14-21(25)13-18/h2-14H,15H2,1H3/b29-2+/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine?
N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine has a molecular weight of 403.39 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]ethanimine is sourced from PubChem (CID 143471976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).