N-benzyl-2,2,2-trifluoroethanimine

C9H8F3N — CID 10130274

IUPACN-benzyl-2,2,2-trifluoroethanimine
SMILESFC(F)(F)/C=N/Cc1ccccc1
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b13-7+
InChIKeySVXVQGHKZKUEIS-NTUHNPAUSA-N
MW187.16 g/mol
LogP2.82
Rot. Bonds2

About N-benzyl-2,2,2-trifluoroethanimine

N-benzyl-2,2,2-trifluoroethanimine (PubChem CID 10130274) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoroethanimine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoroethanimine
PubChem CID10130274
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC NameN-benzyl-2,2,2-trifluoroethanimine
SMILESFC(F)(F)/C=N/Cc1ccccc1
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b13-7+
InChIKeySVXVQGHKZKUEIS-NTUHNPAUSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl Isothiocyanate
CID 2346
p-Fluorobenzyl isothiocyanate
CID 75963
4-(Trifluoromethyl)benzylamine
CID 76804
3-Fluorobenzyl isothiocyanate
CID 2737275
N-Benzylidenebenzylamine
CID 95831
Benzyl isocyanide
CID 82558
1-(Isothiocyanatomethyl)-3-(trifluoromethyl)benzene
CID 13975638
4-Fluorobenzylguanidine
CID 2544654
CID 450549
CID 450549
(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
Benzyl Isoselenocyanate
CID 12506035
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
CID 563360

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoroethanimine?
The IUPAC name of N-benzyl-2,2,2-trifluoroethanimine (CID 10130274) is N-benzyl-2,2,2-trifluoroethanimine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoroethanimine?
The canonical SMILES for N-benzyl-2,2,2-trifluoroethanimine is FC(F)(F)/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2,2-trifluoroethanimine?
The InChIKey is SVXVQGHKZKUEIS-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H8F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b13-7+.
What are the key properties of N-benzyl-2,2,2-trifluoroethanimine?
N-benzyl-2,2,2-trifluoroethanimine has a molecular weight of 187.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoroethanimine is sourced from PubChem (CID 10130274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).