2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole

C7H8F2N2S — CID 139525498

IUPAC2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1(c2nncs2)CC(F)(F)C1
InChIInChI=1S/C7H8F2N2S/c1-6(2-7(8,9)3-6)5-11-10-4-12-5/h4H,2-3H2,1H3
InChIKeyDRGPSINXUOJWBR-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.22
Rot. Bonds1

About 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole

2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole (PubChem CID 139525498) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
PubChem CID139525498
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1(c2nncs2)CC(F)(F)C1
InChIInChI=1S/C7H8F2N2S/c1-6(2-7(8,9)3-6)5-11-10-4-12-5/h4H,2-3H2,1H3
InChIKeyDRGPSINXUOJWBR-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
CID 90971410
2-(3,3-Difluoro-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525068
2-(3-Fluoro-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525069
2-(2-Chloro-2,3,3-trifluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
CID 140363620
2-(1-Ethyl-3,3-difluorocyclobutyl)-1,3,4-thiadiazole
CID 156373479
2-(1-Butan-2-yl-3,3-difluorocyclobutyl)-1,3,4-thiadiazole
CID 156373627
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-thiol
CID 163531325
2-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazole
CID 175891081
2-(1-Methylcyclobutyl)-1,3,4-thiadiazole
CID 123563090
2-(1-Propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525082
2-(3,3-Dimethylcyclobutyl)-1,3,4-thiadiazole
CID 153459185
2-(2-Methylpentan-2-yl)-1,3,4-thiadiazole
CID 173172766

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole (CID 139525498) is 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole is CC1(c2nncs2)CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole?
The InChIKey is DRGPSINXUOJWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c1-6(2-7(8,9)3-6)5-11-10-4-12-5/h4H,2-3H2,1H3.
What are the key properties of 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole?
2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole has a molecular weight of 190.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139525498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).