CID 138980316

C10H8F3N3O- — CID 138980316

IUPAC—
SMILES[N-]=[N+]=NC([O-])c1ccccc1[CH]CC(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(17)15-16-14/h1-5,9H,6H2/q-1
InChIKeyRVZNZKHGAZEESX-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.86
Rot. Bonds4

About CID 138980316

CID 138980316 (PubChem CID 138980316) has the molecular formula C10H8F3N3O- and a molecular weight of 243.19 g/mol.

Molecular Properties

Compound NameCID 138980316
PubChem CID138980316
Molecular FormulaC10H8F3N3O-
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name—
SMILES[N-]=[N+]=NC([O-])c1ccccc1[CH]CC(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(17)15-16-14/h1-5,9H,6H2/q-1
InChIKeyRVZNZKHGAZEESX-UHFFFAOYSA-N
XLogP2.86
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 138980316?
The IUPAC name of CID 138980316 (CID 138980316) is not available.
What is the SMILES notation for CID 138980316?
The canonical SMILES for CID 138980316 is [N-]=[N+]=NC([O-])c1ccccc1[CH]CC(F)(F)F.
What is the InChIKey of CID 138980316?
The InChIKey is RVZNZKHGAZEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(17)15-16-14/h1-5,9H,6H2/q-1.
What are the key properties of CID 138980316?
CID 138980316 has a molecular weight of 243.19 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138980316 is sourced from PubChem (CID 138980316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).