4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide

C12H10F6N2 — CID 143835208

IUPAC4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide
SMILESC=N/C(CCC(F)(F)F)=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F6N2/c1-19-10(5-6-11(13,14)15)20-9-4-2-3-8(7-9)12(16,17)18/h2-4,7H,1,5-6H2/b20-10-
InChIKeyDXCVCXQSISAAOY-JMIUGGIZSA-N
MW296.21 g/mol
LogP4.78
Rot. Bonds3

About 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide

4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide (PubChem CID 143835208) has the molecular formula C12H10F6N2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide
PubChem CID143835208
Molecular FormulaC12H10F6N2
Molecular Weight296.21 g/mol
Exact Mass296.07
IUPAC Name4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide
SMILESC=N/C(CCC(F)(F)F)=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F6N2/c1-19-10(5-6-11(13,14)15)20-9-4-2-3-8(7-9)12(16,17)18/h2-4,7H,1,5-6H2/b20-10-
InChIKeyDXCVCXQSISAAOY-JMIUGGIZSA-N
XLogP4.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.78
H-Bond Donors ≤ 50
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
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide
CID 101120862
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
[(E)-prop-1-enyl] N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
CID 143118268
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene
CID 139243033
1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
CID 141060662
1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
CID 11501101
2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]guanidine
CID 57120718

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide?
The IUPAC name of 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide (CID 143835208) is 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide?
The canonical SMILES for 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide is C=N/C(CCC(F)(F)F)=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide?
The InChIKey is DXCVCXQSISAAOY-JMIUGGIZSA-N. The full InChI is InChI=1S/C12H10F6N2/c1-19-10(5-6-11(13,14)15)20-9-4-2-3-8(7-9)12(16,17)18/h2-4,7H,1,5-6H2/b20-10-.
What are the key properties of 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide?
4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide has a molecular weight of 296.21 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide is sourced from PubChem (CID 143835208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).