4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine

C8H15F2NS — CID 130918019

IUPAC4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(CC(F)F)CC(C)S1
InChIInChI=1S/C8H15F2NS/c1-6-3-11(5-8(9)10)4-7(2)12-6/h6-8H,3-5H2,1-2H3
InChIKeyOUKOVQDQCIPJCL-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.08
Rot. Bonds2

About 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine

4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine (PubChem CID 130918019) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine
PubChem CID130918019
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(CC(F)F)CC(C)S1
InChIInChI=1S/C8H15F2NS/c1-6-3-11(5-8(9)10)4-7(2)12-6/h6-8H,3-5H2,1-2H3
InChIKeyOUKOVQDQCIPJCL-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine (CID 130918019) is 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine is CC1CN(CC(F)F)CC(C)S1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine?
The InChIKey is OUKOVQDQCIPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-6-3-11(5-8(9)10)4-7(2)12-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine?
4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine has a molecular weight of 195.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 130918019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).