1H-perimidine-2-carbonyl fluoride

C12H7FN2O — CID 142675319

IUPAC1H-perimidine-2-carbonyl fluoride
SMILESO=C(F)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H7FN2O/c13-11(16)12-14-8-5-1-3-7-4-2-6-9(15-12)10(7)8/h1-6H,(H,14,15)
InChIKeyJYYCSXYERHOUNR-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.79
Rot. Bonds1

About 1H-perimidine-2-carbonyl fluoride

1H-perimidine-2-carbonyl fluoride (PubChem CID 142675319) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 1H-perimidine-2-carbonyl fluoride.

Molecular Properties

Compound Name1H-perimidine-2-carbonyl fluoride
PubChem CID142675319
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name1H-perimidine-2-carbonyl fluoride
SMILESO=C(F)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H7FN2O/c13-11(16)12-14-8-5-1-3-7-4-2-6-9(15-12)10(7)8/h1-6H,(H,14,15)
InChIKeyJYYCSXYERHOUNR-UHFFFAOYSA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-perimidine-2-carbonyl fluoride?
The IUPAC name of 1H-perimidine-2-carbonyl fluoride (CID 142675319) is 1H-perimidine-2-carbonyl fluoride.
What is the SMILES notation for 1H-perimidine-2-carbonyl fluoride?
The canonical SMILES for 1H-perimidine-2-carbonyl fluoride is O=C(F)C1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 1H-perimidine-2-carbonyl fluoride?
The InChIKey is JYYCSXYERHOUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-11(16)12-14-8-5-1-3-7-4-2-6-9(15-12)10(7)8/h1-6H,(H,14,15).
What are the key properties of 1H-perimidine-2-carbonyl fluoride?
1H-perimidine-2-carbonyl fluoride has a molecular weight of 214.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-perimidine-2-carbonyl fluoride is sourced from PubChem (CID 142675319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).