CID 59497988

C5H2F3NS — CID 59497988

IUPAC—
SMILES[CH]c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H2F3NS/c1-3-9-4(2-10-3)5(6,7)8/h1-2H
InChIKeyWWPMHENQAKVGIW-UHFFFAOYSA-N
MW165.14 g/mol
LogP2.22
Rot. Bonds

About CID 59497988

CID 59497988 (PubChem CID 59497988) has the molecular formula C5H2F3NS and a molecular weight of 165.14 g/mol.

Molecular Properties

Compound NameCID 59497988
PubChem CID59497988
Molecular FormulaC5H2F3NS
Molecular Weight165.14 g/mol
Exact Mass164.99
IUPAC Name—
SMILES[CH]c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H2F3NS/c1-3-9-4(2-10-3)5(6,7)8/h1-2H
InChIKeyWWPMHENQAKVGIW-UHFFFAOYSA-N
XLogP2.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59497988?
The IUPAC name of CID 59497988 (CID 59497988) is not available.
What is the SMILES notation for CID 59497988?
The canonical SMILES for CID 59497988 is [CH]c1nc(C(F)(F)F)cs1.
What is the InChIKey of CID 59497988?
The InChIKey is WWPMHENQAKVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NS/c1-3-9-4(2-10-3)5(6,7)8/h1-2H.
What are the key properties of CID 59497988?
CID 59497988 has a molecular weight of 165.14 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59497988 is sourced from PubChem (CID 59497988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).