2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

C10H6ClFN2OS — CID 102865507

IUPAC2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cnns1
InChIInChI=1S/C10H6ClFN2OS/c11-7-3-1-2-6(10(7)12)4-8(15)9-5-13-14-16-9/h1-3,5H,4H2
InChIKeyCISIOTWOUSTDFN-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 102865507) has the molecular formula C10H6ClFN2OS and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
PubChem CID102865507
Molecular FormulaC10H6ClFN2OS
Molecular Weight256.69 g/mol
Exact Mass255.99
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cnns1
InChIInChI=1S/C10H6ClFN2OS/c11-7-3-1-2-6(10(7)12)4-8(15)9-5-13-14-16-9/h1-3,5H,4H2
InChIKeyCISIOTWOUSTDFN-UHFFFAOYSA-N
XLogP2.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (CID 102865507) is 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is O=C(Cc1cccc(Cl)c1F)c1cnns1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is CISIOTWOUSTDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2OS/c11-7-3-1-2-6(10(7)12)4-8(15)9-5-13-14-16-9/h1-3,5H,4H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 256.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 102865507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).