2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone

C9H10F2N2OS — CID 131048023

IUPAC2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(CC1CCCC1(F)F)c1cnns1
InChIInChI=1S/C9H10F2N2OS/c10-9(11)3-1-2-6(9)4-7(14)8-5-12-13-15-8/h5-6H,1-4H2
InChIKeyHBGVJHHQBAWRLM-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone

2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 131048023) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone
PubChem CID131048023
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC Name2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(CC1CCCC1(F)F)c1cnns1
InChIInChI=1S/C9H10F2N2OS/c10-9(11)3-1-2-6(9)4-7(14)8-5-12-13-15-8/h5-6H,1-4H2
InChIKeyHBGVJHHQBAWRLM-UHFFFAOYSA-N
XLogP2.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone (CID 131048023) is 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone is O=C(CC1CCCC1(F)F)c1cnns1.
What is the InChIKey of 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is HBGVJHHQBAWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2OS/c10-9(11)3-1-2-6(9)4-7(14)8-5-12-13-15-8/h5-6H,1-4H2.
What are the key properties of 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone?
2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 232.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopentyl)-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 131048023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).