CID 59475964

C2H2FN4- — CID 59475964

IUPAC—
SMILESF[CH-]n1cnnn1
InChIInChI=1S/C2H2FN4/c3-1-7-2-4-5-6-7/h1-2H/q-1
InChIKeyPFABLYQONCBXJG-UHFFFAOYSA-N
MW101.06 g/mol
LogP-0.39
Rot. Bonds1

About CID 59475964

CID 59475964 (PubChem CID 59475964) has the molecular formula C2H2FN4- and a molecular weight of 101.06 g/mol.

Molecular Properties

Compound NameCID 59475964
PubChem CID59475964
Molecular FormulaC2H2FN4-
Molecular Weight101.06 g/mol
Exact Mass101.03
IUPAC Name—
SMILESF[CH-]n1cnnn1
InChIInChI=1S/C2H2FN4/c3-1-7-2-4-5-6-7/h1-2H/q-1
InChIKeyPFABLYQONCBXJG-UHFFFAOYSA-N
XLogP-0.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.06
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59475964?
The IUPAC name of CID 59475964 (CID 59475964) is not available.
What is the SMILES notation for CID 59475964?
The canonical SMILES for CID 59475964 is F[CH-]n1cnnn1.
What is the InChIKey of CID 59475964?
The InChIKey is PFABLYQONCBXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2FN4/c3-1-7-2-4-5-6-7/h1-2H/q-1.
What are the key properties of CID 59475964?
CID 59475964 has a molecular weight of 101.06 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59475964 is sourced from PubChem (CID 59475964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).