CID 59758915

C5H3F3NS — CID 59758915

IUPAC—
SMILES[CH2]c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H3F3NS/c1-3-9-4(2-10-3)5(6,7)8/h2H,1H2
InChIKeyHACCIJQQENTTDQ-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.34
Rot. Bonds

About CID 59758915

CID 59758915 (PubChem CID 59758915) has the molecular formula C5H3F3NS and a molecular weight of 166.15 g/mol.

Molecular Properties

Compound NameCID 59758915
PubChem CID59758915
Molecular FormulaC5H3F3NS
Molecular Weight166.15 g/mol
Exact Mass165.99
IUPAC Name—
SMILES[CH2]c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H3F3NS/c1-3-9-4(2-10-3)5(6,7)8/h2H,1H2
InChIKeyHACCIJQQENTTDQ-UHFFFAOYSA-N
XLogP2.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59758915?
The IUPAC name of CID 59758915 (CID 59758915) is not available.
What is the SMILES notation for CID 59758915?
The canonical SMILES for CID 59758915 is [CH2]c1nc(C(F)(F)F)cs1.
What is the InChIKey of CID 59758915?
The InChIKey is HACCIJQQENTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3NS/c1-3-9-4(2-10-3)5(6,7)8/h2H,1H2.
What are the key properties of CID 59758915?
CID 59758915 has a molecular weight of 166.15 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59758915 is sourced from PubChem (CID 59758915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).