N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine

C11H12F3N — CID 123661953

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine
SMILESC/N=C(\C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-8(15-2)7-9-3-5-10(6-4-9)11(12,13)14/h3-6H,7H2,1-2H3/b15-8+
InChIKeyAPWYUJRAXHSZJA-OVCLIPMQSA-N
MW215.22 g/mol
LogP3.34
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine

N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine (PubChem CID 123661953) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine
PubChem CID123661953
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine
SMILESC/N=C(\C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-8(15-2)7-9-3-5-10(6-4-9)11(12,13)14/h3-6H,7H2,1-2H3/b15-8+
InChIKeyAPWYUJRAXHSZJA-OVCLIPMQSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.34
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

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6-(4-fluorophenyl)-2-methyl-3H-azepine
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N-benzyl-1,1,1-trifluoropropan-2-imine
CID 2760746
N-{1-[4-(Trifluoromethyl)phenyl]ethylidene}hydroxylamine
CID 5959048
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N-Methyl-4-(trifluoromethyl)benzenemethaneimine
CID 11321394
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N-tert-Butyl-4-(trifluoromethyl)benzenemethaneimine
CID 11608305
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CID 14874565

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine (CID 123661953) is N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine is C/N=C(\C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine?
The InChIKey is APWYUJRAXHSZJA-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H12F3N/c1-8(15-2)7-9-3-5-10(6-4-9)11(12,13)14/h3-6H,7H2,1-2H3/b15-8+.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine?
N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine has a molecular weight of 215.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-imine is sourced from PubChem (CID 123661953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).