2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone

C10H5F3N2OS — CID 101496413

IUPAC2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone
SMILESO=C(c1nnc(-c2ccccc2)s1)C(F)(F)F
InChIInChI=1S/C10H5F3N2OS/c11-10(12,13)7(16)9-15-14-8(17-9)6-4-2-1-3-5-6/h1-5H
InChIKeyUVDQKYNLWAXGQM-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.95
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone

2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone (PubChem CID 101496413) has the molecular formula C10H5F3N2OS and a molecular weight of 258.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone
PubChem CID101496413
Molecular FormulaC10H5F3N2OS
Molecular Weight258.22 g/mol
Exact Mass258.01
IUPAC Name2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone
SMILESO=C(c1nnc(-c2ccccc2)s1)C(F)(F)F
InChIInChI=1S/C10H5F3N2OS/c11-10(12,13)7(16)9-15-14-8(17-9)6-4-2-1-3-5-6/h1-5H
InChIKeyUVDQKYNLWAXGQM-UHFFFAOYSA-N
XLogP2.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone (CID 101496413) is 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone is O=C(c1nnc(-c2ccccc2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone?
The InChIKey is UVDQKYNLWAXGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2OS/c11-10(12,13)7(16)9-15-14-8(17-9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone?
2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone has a molecular weight of 258.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone is sourced from PubChem (CID 101496413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).