2-(fluoromethyl)-1H-perimidine

C12H9FN2 — CID 12732514

IUPAC2-(fluoromethyl)-1H-perimidine
SMILESFCC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H9FN2/c13-7-11-14-9-5-1-3-8-4-2-6-10(15-11)12(8)9/h1-6H,7H2,(H,14,15)
InChIKeyUZUCPOXGNNLMGS-UHFFFAOYSA-N
MW200.22 g/mol
LogP3.26
Rot. Bonds1

About 2-(fluoromethyl)-1H-perimidine

2-(fluoromethyl)-1H-perimidine (PubChem CID 12732514) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-1H-perimidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1H-perimidine
PubChem CID12732514
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name2-(fluoromethyl)-1H-perimidine
SMILESFCC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H9FN2/c13-7-11-14-9-5-1-3-8-4-2-6-10(15-11)12(8)9/h1-6H,7H2,(H,14,15)
InChIKeyUZUCPOXGNNLMGS-UHFFFAOYSA-N
XLogP3.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1H-perimidine?
The IUPAC name of 2-(fluoromethyl)-1H-perimidine (CID 12732514) is 2-(fluoromethyl)-1H-perimidine.
What is the SMILES notation for 2-(fluoromethyl)-1H-perimidine?
The canonical SMILES for 2-(fluoromethyl)-1H-perimidine is FCC1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(fluoromethyl)-1H-perimidine?
The InChIKey is UZUCPOXGNNLMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2/c13-7-11-14-9-5-1-3-8-4-2-6-10(15-11)12(8)9/h1-6H,7H2,(H,14,15).
What are the key properties of 2-(fluoromethyl)-1H-perimidine?
2-(fluoromethyl)-1H-perimidine has a molecular weight of 200.22 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1H-perimidine is sourced from PubChem (CID 12732514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).