2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole

C7H8F2N2OS — CID 130678430

IUPAC2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CCSC2)o1
InChIInChI=1S/C7H8F2N2OS/c8-5(9)7-11-10-6(12-7)4-1-2-13-3-4/h4-5H,1-3H2
InChIKeyXNJKNEDNUHFOJR-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.23
Rot. Bonds2

About 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole (PubChem CID 130678430) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole
PubChem CID130678430
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC Name2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CCSC2)o1
InChIInChI=1S/C7H8F2N2OS/c8-5(9)7-11-10-6(12-7)4-1-2-13-3-4/h4-5H,1-3H2
InChIKeyXNJKNEDNUHFOJR-UHFFFAOYSA-N
XLogP2.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole;ethane
CID 153404817
2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
CID 153456384
2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
CID 131153737
2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115028712
2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115021666
2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole
CID 126996136
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol
CID 115085513
3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130693534
2-[2-(thiolan-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115028315
2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
CID 131201326
1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115080972

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole (CID 130678430) is 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole is FC(F)c1nnc(C2CCSC2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole?
The InChIKey is XNJKNEDNUHFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c8-5(9)7-11-10-6(12-7)4-1-2-13-3-4/h4-5H,1-3H2.
What are the key properties of 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole has a molecular weight of 206.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(thiolan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 130678430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).