CID 59369568

C8H6F3N3O — CID 59369568

IUPAC—
SMILES[CH]c1cncc(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C8H6F3N3O/c1-5-2-12-3-6(14-5)7(15)13-4-8(9,10)11/h1-3H,4H2,(H,13,15)
InChIKeyPBGRSFUENPXKOM-UHFFFAOYSA-N
MW217.15 g/mol
LogP0.83
Rot. Bonds2

About CID 59369568

CID 59369568 (PubChem CID 59369568) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol.

Molecular Properties

Compound NameCID 59369568
PubChem CID59369568
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name—
SMILES[CH]c1cncc(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C8H6F3N3O/c1-5-2-12-3-6(14-5)7(15)13-4-8(9,10)11/h1-3H,4H2,(H,13,15)
InChIKeyPBGRSFUENPXKOM-UHFFFAOYSA-N
XLogP0.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59369568?
The IUPAC name of CID 59369568 (CID 59369568) is not available.
What is the SMILES notation for CID 59369568?
The canonical SMILES for CID 59369568 is [CH]c1cncc(C(=O)NCC(F)(F)F)n1.
What is the InChIKey of CID 59369568?
The InChIKey is PBGRSFUENPXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-5-2-12-3-6(14-5)7(15)13-4-8(9,10)11/h1-3H,4H2,(H,13,15).
What are the key properties of CID 59369568?
CID 59369568 has a molecular weight of 217.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369568 is sourced from PubChem (CID 59369568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).