CID 132546438

C6HF6N2OS — CID 132546438

IUPAC—
SMILESO=C(Nc1nc(C(F)(F)F)[c]s1)C(F)(F)F
InChIInChI=1S/C6HF6N2OS/c7-5(8,9)2-1-16-4(13-2)14-3(15)6(10,11)12/h(H,13,14,15)
InChIKeyVHMPFKFHNJKLBM-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.46
Rot. Bonds1

About CID 132546438

CID 132546438 (PubChem CID 132546438) has the molecular formula C6HF6N2OS and a molecular weight of 263.14 g/mol.

Molecular Properties

Compound NameCID 132546438
PubChem CID132546438
Molecular FormulaC6HF6N2OS
Molecular Weight263.14 g/mol
Exact Mass262.97
IUPAC Name—
SMILESO=C(Nc1nc(C(F)(F)F)[c]s1)C(F)(F)F
InChIInChI=1S/C6HF6N2OS/c7-5(8,9)2-1-16-4(13-2)14-3(15)6(10,11)12/h(H,13,14,15)
InChIKeyVHMPFKFHNJKLBM-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 132546438?
The IUPAC name of CID 132546438 (CID 132546438) is not available.
What is the SMILES notation for CID 132546438?
The canonical SMILES for CID 132546438 is O=C(Nc1nc(C(F)(F)F)[c]s1)C(F)(F)F.
What is the InChIKey of CID 132546438?
The InChIKey is VHMPFKFHNJKLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF6N2OS/c7-5(8,9)2-1-16-4(13-2)14-3(15)6(10,11)12/h(H,13,14,15).
What are the key properties of CID 132546438?
CID 132546438 has a molecular weight of 263.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132546438 is sourced from PubChem (CID 132546438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).