4-(2,2-difluoroethyl)-2-ethylthiomorpholine

C8H15F2NS — CID 130739950

IUPAC4-(2,2-difluoroethyl)-2-ethylthiomorpholine
SMILESCCC1CN(CC(F)F)CCS1
InChIInChI=1S/C8H15F2NS/c1-2-7-5-11(3-4-12-7)6-8(9)10/h7-8H,2-6H2,1H3
InChIKeyOAIKCNKVAZXSLA-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.08
Rot. Bonds3

About 4-(2,2-difluoroethyl)-2-ethylthiomorpholine

4-(2,2-difluoroethyl)-2-ethylthiomorpholine (PubChem CID 130739950) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-ethylthiomorpholine
PubChem CID130739950
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name4-(2,2-difluoroethyl)-2-ethylthiomorpholine
SMILESCCC1CN(CC(F)F)CCS1
InChIInChI=1S/C8H15F2NS/c1-2-7-5-11(3-4-12-7)6-8(9)10/h7-8H,2-6H2,1H3
InChIKeyOAIKCNKVAZXSLA-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 123784194
4,4-Difluoro-1-(2-methylsulfanylethyl)piperidine
CID 133676991
3,3-Difluoro-1-methylpyrrolidine;4-methylthiomorpholine
CID 143268139
4-Methyl-2-(trifluoromethyl)thiomorpholine
CID 145167716
4-Methyl-3-(trifluoromethyl)thiomorpholine
CID 145167718
4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
3-Ethylsulfanyl-4,4-difluoro-1-methylpiperidine
CID 146631131
1-Ethyl-2,2-difluoro-4-methylsulfanylpiperidine
CID 155034445
3,3-Difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 155036689
1-Ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
CID 166778105
2,2-Difluoro-1-methyl-4-methylsulfanylpiperidine
CID 167300781
5,5-Difluoro-3-methyl-1,3-thiazinane
CID 168260375

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-ethylthiomorpholine?
The IUPAC name of 4-(2,2-difluoroethyl)-2-ethylthiomorpholine (CID 130739950) is 4-(2,2-difluoroethyl)-2-ethylthiomorpholine.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-ethylthiomorpholine?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-ethylthiomorpholine is CCC1CN(CC(F)F)CCS1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-ethylthiomorpholine?
The InChIKey is OAIKCNKVAZXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-2-7-5-11(3-4-12-7)6-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-2-ethylthiomorpholine?
4-(2,2-difluoroethyl)-2-ethylthiomorpholine has a molecular weight of 195.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-ethylthiomorpholine is sourced from PubChem (CID 130739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).