2-[2-(trifluoromethyl)imidazol-1-yl]aniline

C10H8F3N3 — CID 22759837

IUPAC2-[2-(trifluoromethyl)imidazol-1-yl]aniline
SMILESNc1ccccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-15-5-6-16(9)8-4-2-1-3-7(8)14/h1-6H,14H2
InChIKeyKZLBZACTEVFPFO-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.47
Rot. Bonds1

About 2-[2-(trifluoromethyl)imidazol-1-yl]aniline

2-[2-(trifluoromethyl)imidazol-1-yl]aniline (PubChem CID 22759837) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)imidazol-1-yl]aniline.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)imidazol-1-yl]aniline
PubChem CID22759837
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name2-[2-(trifluoromethyl)imidazol-1-yl]aniline
SMILESNc1ccccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-15-5-6-16(9)8-4-2-1-3-7(8)14/h1-6H,14H2
InChIKeyKZLBZACTEVFPFO-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)imidazol-1-yl]aniline?
The IUPAC name of 2-[2-(trifluoromethyl)imidazol-1-yl]aniline (CID 22759837) is 2-[2-(trifluoromethyl)imidazol-1-yl]aniline.
What is the SMILES notation for 2-[2-(trifluoromethyl)imidazol-1-yl]aniline?
The canonical SMILES for 2-[2-(trifluoromethyl)imidazol-1-yl]aniline is Nc1ccccc1-n1ccnc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)imidazol-1-yl]aniline?
The InChIKey is KZLBZACTEVFPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)9-15-5-6-16(9)8-4-2-1-3-7(8)14/h1-6H,14H2.
What are the key properties of 2-[2-(trifluoromethyl)imidazol-1-yl]aniline?
2-[2-(trifluoromethyl)imidazol-1-yl]aniline has a molecular weight of 227.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)imidazol-1-yl]aniline is sourced from PubChem (CID 22759837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).