N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine

C19H14F3NO — CID 141221968

IUPACN-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine
SMILESCc1cccc(/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1
InChIInChI=1S/C19H14F3NO/c1-13-5-4-6-14(11-13)23-12-15-9-10-18(24-15)16-7-2-3-8-17(16)19(20,21)22/h2-12H,1H3/b23-12+
InChIKeyXAQVYWAEMBAQBO-FSJBWODESA-N
MW329.32 g/mol
LogP6.02
Rot. Bonds3

About N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine

N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine (PubChem CID 141221968) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine
PubChem CID141221968
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC NameN-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine
SMILESCc1cccc(/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1
InChIInChI=1S/C19H14F3NO/c1-13-5-4-6-14(11-13)23-12-15-9-10-18(24-15)16-7-2-3-8-17(16)19(20,21)22/h2-12H,1H3/b23-12+
InChIKeyXAQVYWAEMBAQBO-FSJBWODESA-N
XLogP6.02
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
The IUPAC name of N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine (CID 141221968) is N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine.
What is the SMILES notation for N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
The canonical SMILES for N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine is Cc1cccc(/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
The InChIKey is XAQVYWAEMBAQBO-FSJBWODESA-N. The full InChI is InChI=1S/C19H14F3NO/c1-13-5-4-6-14(11-13)23-12-15-9-10-18(24-15)16-7-2-3-8-17(16)19(20,21)22/h2-12H,1H3/b23-12+.
What are the key properties of N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine has a molecular weight of 329.32 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanimine is sourced from PubChem (CID 141221968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).