2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole

C7H7F3N2S — CID 90971410

IUPAC2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
SMILESFC(F)(F)C1(c2nncs2)CCC1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)6(2-1-3-6)5-12-11-4-13-5/h4H,1-3H2
InChIKeyTXENUIAZKLAQOA-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.52
Rot. Bonds1

About 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole

2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole (PubChem CID 90971410) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
PubChem CID90971410
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
SMILESFC(F)(F)C1(c2nncs2)CCC1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)6(2-1-3-6)5-12-11-4-13-5/h4H,1-3H2
InChIKeyTXENUIAZKLAQOA-UHFFFAOYSA-N
XLogP2.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 91560384
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-(3,3-Difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
CID 139525498
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
1-(1,3,4-Thiadiazol-2-yl)cyclobutane-1-carbonitrile
CID 130544245

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole (CID 90971410) is 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole is FC(F)(F)C1(c2nncs2)CCC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole?
The InChIKey is TXENUIAZKLAQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c8-7(9,10)6(2-1-3-6)5-12-11-4-13-5/h4H,1-3H2.
What are the key properties of 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole?
2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole has a molecular weight of 208.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole is sourced from PubChem (CID 90971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).