2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide

C11H13F3N2 — CID 58663964

IUPAC2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
SMILESCC(C)/C(N)=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2/c1-7(2)10(15)16-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H2,15,16)
InChIKeyKWKDNWVAXKHUCN-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.35
Rot. Bonds2

About 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide

2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide (PubChem CID 58663964) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
PubChem CID58663964
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
SMILESCC(C)/C(N)=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2/c1-7(2)10(15)16-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H2,15,16)
InChIKeyKWKDNWVAXKHUCN-UHFFFAOYSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
CID 6333667
[(E)-prop-1-enyl] N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
CID 143118268
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[3-(trifluoromethyl)phenyl]iminobutanoate
CID 91287681
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]guanidine
CID 57120718
1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
CID 11501101
4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 154040816
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008
methyl 4-propan-2-yloxy-3-[3-(trifluoromethyl)phenyl]iminobutanoate
CID 91107349
4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide
CID 143835208
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide (CID 58663964) is 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide is CC(C)/C(N)=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide?
The InChIKey is KWKDNWVAXKHUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-7(2)10(15)16-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H2,15,16).
What are the key properties of 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide?
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide has a molecular weight of 230.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide is sourced from PubChem (CID 58663964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).