2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole

C6H6F2N2S — CID 175891081

IUPAC2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole
SMILESFC1(F)CC(c2nncs2)C1
InChIInChI=1S/C6H6F2N2S/c7-6(8)1-4(2-6)5-10-9-3-11-5/h3-4H,1-2H2
InChIKeyTWTLPXDFGFMTCY-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.05
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole

2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole (PubChem CID 175891081) has the molecular formula C6H6F2N2S and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole
PubChem CID175891081
Molecular FormulaC6H6F2N2S
Molecular Weight176.19 g/mol
Exact Mass176.02
IUPAC Name2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole
SMILESFC1(F)CC(c2nncs2)C1
InChIInChI=1S/C6H6F2N2S/c7-6(8)1-4(2-6)5-10-9-3-11-5/h3-4H,1-2H2
InChIKeyTWTLPXDFGFMTCY-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
CID 90971410
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139434807
2-(3,3-Difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
CID 139525498
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-thiol
CID 163531325
2,4-Difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 175421773
2-Cyclobutyl-1,3,4-thiadiazole
CID 149159619
2-(3-Methylcyclobutyl)-1,3,4-thiadiazole
CID 178118735
2-(Cyclobutylmethyl)-1,3,4-thiadiazole
CID 178118738

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole (CID 175891081) is 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole is FC1(F)CC(c2nncs2)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole?
The InChIKey is TWTLPXDFGFMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2S/c7-6(8)1-4(2-6)5-10-9-3-11-5/h3-4H,1-2H2.
What are the key properties of 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole?
2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole has a molecular weight of 176.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 175891081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).