N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine

C9H8F3N — CID 14342382

IUPACN-methyl-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESC/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3N/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyQOSAWKZWHLBKTD-AWNIVKPZSA-N
MW187.16 g/mol
LogP2.75
Rot. Bonds1

About N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine

N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 14342382) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID14342382
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC NameN-methyl-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESC/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3N/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyQOSAWKZWHLBKTD-AWNIVKPZSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.75
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

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
3,4-Dihydroisoquinoline
CID 76705
Ethanamine, N-(phenylmethylene)-
CID 111239
N-methyl-alpha-phenylnitrone
CID 819870
N-((2-methylphenyl)methylidene)hydroxylamine
CID 6904185
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-Benzylidenepropylamine
CID 250250
N-{[2-(trifluoromethyl)phenyl]methylidene}hydroxylamine
CID 6868090
1-(2-but-3-ynylphenyl)-N-methylmethanimine oxide
CID 42628277
N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine Oxide
CID 11817416
1-(4-fluorophenyl)-N-methylmethanimine oxide
CID 5392831

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine (CID 14342382) is N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine is C/N=C/c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is QOSAWKZWHLBKTD-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8F3N/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-6H,1H3/b13-6+.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine?
N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 187.16 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 14342382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).