1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone

C8H8F2N2OS — CID 131138358

IUPAC1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)C1CC(F)(F)C1
InChIInChI=1S/C8H8F2N2OS/c9-8(10)2-5(3-8)7(13)1-6-4-14-12-11-6/h4-5H,1-3H2
InChIKeyJARURHHRQDKFGI-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.70
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone

1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone (PubChem CID 131138358) has the molecular formula C8H8F2N2OS and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone
PubChem CID131138358
Molecular FormulaC8H8F2N2OS
Molecular Weight218.23 g/mol
Exact Mass218.03
IUPAC Name1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)C1CC(F)(F)C1
InChIInChI=1S/C8H8F2N2OS/c9-8(10)2-5(3-8)7(13)1-6-4-14-12-11-6/h4-5H,1-3H2
InChIKeyJARURHHRQDKFGI-UHFFFAOYSA-N
XLogP1.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone (CID 131138358) is 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone is O=C(Cc1csnn1)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone?
The InChIKey is JARURHHRQDKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2OS/c9-8(10)2-5(3-8)7(13)1-6-4-14-12-11-6/h4-5H,1-3H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone?
1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone has a molecular weight of 218.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 131138358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).