CID 59526767

C10H8F3N4- — CID 59526767

IUPAC—
SMILES[CH2-]n1nnc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N4/c1-17-15-9(14-16-17)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,1,6H2/q-1
InChIKeyTWRFEOMAGVXOKE-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.92
Rot. Bonds2

About CID 59526767

CID 59526767 (PubChem CID 59526767) has the molecular formula C10H8F3N4- and a molecular weight of 241.20 g/mol.

Molecular Properties

Compound NameCID 59526767
PubChem CID59526767
Molecular FormulaC10H8F3N4-
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name—
SMILES[CH2-]n1nnc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N4/c1-17-15-9(14-16-17)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,1,6H2/q-1
InChIKeyTWRFEOMAGVXOKE-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.92
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 59526767?
The IUPAC name of CID 59526767 (CID 59526767) is not available.
What is the SMILES notation for CID 59526767?
The canonical SMILES for CID 59526767 is [CH2-]n1nnc(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of CID 59526767?
The InChIKey is TWRFEOMAGVXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N4/c1-17-15-9(14-16-17)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,1,6H2/q-1.
What are the key properties of CID 59526767?
CID 59526767 has a molecular weight of 241.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59526767 is sourced from PubChem (CID 59526767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).