3-(fluoromethyl)-5-imidazol-1-ylaniline

C10H10FN3 — CID 118516408

IUPAC3-(fluoromethyl)-5-imidazol-1-ylaniline
SMILESNc1cc(CF)cc(-n2ccnc2)c1
InChIInChI=1S/C10H10FN3/c11-6-8-3-9(12)5-10(4-8)14-2-1-13-7-14/h1-5,7H,6,12H2
InChIKeyBEVQIASPGVUQKM-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.92
Rot. Bonds2

About 3-(fluoromethyl)-5-imidazol-1-ylaniline

3-(fluoromethyl)-5-imidazol-1-ylaniline (PubChem CID 118516408) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-imidazol-1-ylaniline.

Molecular Properties

Compound Name3-(fluoromethyl)-5-imidazol-1-ylaniline
PubChem CID118516408
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name3-(fluoromethyl)-5-imidazol-1-ylaniline
SMILESNc1cc(CF)cc(-n2ccnc2)c1
InChIInChI=1S/C10H10FN3/c11-6-8-3-9(12)5-10(4-8)14-2-1-13-7-14/h1-5,7H,6,12H2
InChIKeyBEVQIASPGVUQKM-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.92
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 3-(fluoromethyl)-5-imidazol-1-ylaniline?
The IUPAC name of 3-(fluoromethyl)-5-imidazol-1-ylaniline (CID 118516408) is 3-(fluoromethyl)-5-imidazol-1-ylaniline.
What is the SMILES notation for 3-(fluoromethyl)-5-imidazol-1-ylaniline?
The canonical SMILES for 3-(fluoromethyl)-5-imidazol-1-ylaniline is Nc1cc(CF)cc(-n2ccnc2)c1.
What is the InChIKey of 3-(fluoromethyl)-5-imidazol-1-ylaniline?
The InChIKey is BEVQIASPGVUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-6-8-3-9(12)5-10(4-8)14-2-1-13-7-14/h1-5,7H,6,12H2.
What are the key properties of 3-(fluoromethyl)-5-imidazol-1-ylaniline?
3-(fluoromethyl)-5-imidazol-1-ylaniline has a molecular weight of 191.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-imidazol-1-ylaniline is sourced from PubChem (CID 118516408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).