CID 59233642

C5H4F3N3 — CID 59233642

IUPAC—
SMILES[CH]n1nc(C(F)(F)F)nc1C
InChIInChI=1S/C5H4F3N3/c1-3-9-4(5(6,7)8)10-11(3)2/h2H,1H3
InChIKeyUNHMFRDWLXNPEW-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.12
Rot. Bonds

About CID 59233642

CID 59233642 (PubChem CID 59233642) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol.

Molecular Properties

Compound NameCID 59233642
PubChem CID59233642
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC Name—
SMILES[CH]n1nc(C(F)(F)F)nc1C
InChIInChI=1S/C5H4F3N3/c1-3-9-4(5(6,7)8)10-11(3)2/h2H,1H3
InChIKeyUNHMFRDWLXNPEW-UHFFFAOYSA-N
XLogP1.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59233642?
The IUPAC name of CID 59233642 (CID 59233642) is not available.
What is the SMILES notation for CID 59233642?
The canonical SMILES for CID 59233642 is [CH]n1nc(C(F)(F)F)nc1C.
What is the InChIKey of CID 59233642?
The InChIKey is UNHMFRDWLXNPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c1-3-9-4(5(6,7)8)10-11(3)2/h2H,1H3.
What are the key properties of CID 59233642?
CID 59233642 has a molecular weight of 163.10 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59233642 is sourced from PubChem (CID 59233642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).