N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide

C9H10F3N3 — CID 77077245

IUPACN'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide
SMILESNN=C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)15-14/h1-4H,5,14H2,(H2,13,15)
InChIKeyJSZIJHRCJONIKT-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.48
Rot. Bonds2

About N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide

N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 77077245) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID77077245
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC NameN'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide
SMILESNN=C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)15-14/h1-4H,5,14H2,(H2,13,15)
InChIKeyJSZIJHRCJONIKT-UHFFFAOYSA-N
XLogP1.48
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]but-2-ene-2-sulfonic acid
CID 141497500
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
CID 63701463
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
CID 57291400
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
(4-carbamoylphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8803312
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide (CID 77077245) is N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide is NN=C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is JSZIJHRCJONIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)15-14/h1-4H,5,14H2,(H2,13,15).
What are the key properties of N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide?
N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 217.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 77077245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).