2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline

C10H7F3N2 — CID 154679693

IUPAC2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline
SMILES[H]/N=C(\C#C)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H7F3N2/c1-2-8(14)7-4-3-6(5-9(7)15)10(11,12)13/h1,3-5,14H,15H2/b14-8+
InChIKeySPFMXCGPIMNCSV-RIYZIHGNSA-N
MW212.17 g/mol
LogP2.29
Rot. Bonds1

About 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline

2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline (PubChem CID 154679693) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline
PubChem CID154679693
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline
SMILES[H]/N=C(\C#C)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H7F3N2/c1-2-8(14)7-4-3-6(5-9(7)15)10(11,12)13/h1,3-5,14H,15H2/b14-8+
InChIKeySPFMXCGPIMNCSV-RIYZIHGNSA-N
XLogP2.29
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-[2-amino-4-(trifluoromethyl)phenyl]but-3-yn-1-ol
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2-methoxy-4-(trifluoromethyl)benzenecarboximidate
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2-amino-4-(trifluoromethyl)benzenethiol;hydron;chloride
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2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
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methyliminomethyl 2-[2-amino-4-(trifluoromethyl)phenyl]ethanimidate
CID 143400095
[2-amino-5-(trifluoromethyl)phenyl]boronic acid
CID 68785619
2-(2,2-dibromoethenyl)-5-(trifluoromethyl)aniline
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2-amino-4-(1,1,2,2,2-pentafluoroethyl)benzoic acid
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acetic acid;2-amino-4-(trifluoromethyl)phenol
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2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline (CID 154679693) is 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline is [H]/N=C(\C#C)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline?
The InChIKey is SPFMXCGPIMNCSV-RIYZIHGNSA-N. The full InChI is InChI=1S/C10H7F3N2/c1-2-8(14)7-4-3-6(5-9(7)15)10(11,12)13/h1,3-5,14H,15H2/b14-8+.
What are the key properties of 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline?
2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline has a molecular weight of 212.17 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynimidoyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 154679693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).