5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole

C9H12F2N2OS — CID 126954296

IUPAC5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(OC2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H12F2N2OS/c1-6-12-8(15-13-6)14-7-2-4-9(10,11)5-3-7/h7H,2-5H2,1H3
InChIKeyHHUBEKMWVFRCKU-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.80
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole

5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole (PubChem CID 126954296) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole
PubChem CID126954296
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC Name5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(OC2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H12F2N2OS/c1-6-12-8(15-13-6)14-7-2-4-9(10,11)5-3-7/h7H,2-5H2,1H3
InChIKeyHHUBEKMWVFRCKU-UHFFFAOYSA-N
XLogP2.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole
CID 167027025
3-Cyclopropyl-5-[(4,4-difluorocyclohexyl)oxy]-1,2,4-thiadiazole
CID 126954584
5-{[(1R,2R)-2-fluorocyclopentyl]oxy}-3-methyl-1,2,4-thiadiazole
CID 139028505
5-Cyclohexyloxy-3-methyl-1,2,4-thiadiazole
CID 88984917
5-(Cyclopentyloxy)-3-methyl-1,2,4-thiadiazole
CID 126954281

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole (CID 126954296) is 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole is Cc1nsc(OC2CCC(F)(F)CC2)n1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole?
The InChIKey is HHUBEKMWVFRCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-6-12-8(15-13-6)14-7-2-4-9(10,11)5-3-7/h7H,2-5H2,1H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole?
5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole has a molecular weight of 234.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)oxy-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126954296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).