2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C7H9F2N3OS — CID 164644588

IUPAC2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCC(F)(F)c1nc(C2CSC2)no1
InChIInChI=1S/C7H9F2N3OS/c8-7(9,3-10)6-11-5(12-13-6)4-1-14-2-4/h4H,1-3,10H2
InChIKeyQWXHNOZCXXCNSH-UHFFFAOYSA-N
MW221.23 g/mol
LogP0.95
Rot. Bonds3

About 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 164644588) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID164644588
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC Name2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCC(F)(F)c1nc(C2CSC2)no1
InChIInChI=1S/C7H9F2N3OS/c8-7(9,3-10)6-11-5(12-13-6)4-1-14-2-4/h4H,1-3,10H2
InChIKeyQWXHNOZCXXCNSH-UHFFFAOYSA-N
XLogP0.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430515
2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130600727
5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 130600729
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 113308663
2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 84669424
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 55181625
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 80601727
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
1,1,1-trifluoro-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115997665
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104880819

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 164644588) is 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is NCC(F)(F)c1nc(C2CSC2)no1.
What is the InChIKey of 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is QWXHNOZCXXCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c8-7(9,3-10)6-11-5(12-13-6)4-1-14-2-4/h4H,1-3,10H2.
What are the key properties of 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 164644588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).