4-(2,2-difluoroethyl)thiomorpholine

C6H11F2NS — CID 130625752

IUPAC4-(2,2-difluoroethyl)thiomorpholine
SMILESFC(F)CN1CCSCC1
InChIInChI=1S/C6H11F2NS/c7-6(8)5-9-1-3-10-4-2-9/h6H,1-5H2
InChIKeyLJTAPIRRUVVCNV-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.30
Rot. Bonds2

About 4-(2,2-difluoroethyl)thiomorpholine

4-(2,2-difluoroethyl)thiomorpholine (PubChem CID 130625752) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)thiomorpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)thiomorpholine
PubChem CID130625752
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name4-(2,2-difluoroethyl)thiomorpholine
SMILESFC(F)CN1CCSCC1
InChIInChI=1S/C6H11F2NS/c7-6(8)5-9-1-3-10-4-2-9/h6H,1-5H2
InChIKeyLJTAPIRRUVVCNV-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.30
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)thiomorpholine?
The IUPAC name of 4-(2,2-difluoroethyl)thiomorpholine (CID 130625752) is 4-(2,2-difluoroethyl)thiomorpholine.
What is the SMILES notation for 4-(2,2-difluoroethyl)thiomorpholine?
The canonical SMILES for 4-(2,2-difluoroethyl)thiomorpholine is FC(F)CN1CCSCC1.
What is the InChIKey of 4-(2,2-difluoroethyl)thiomorpholine?
The InChIKey is LJTAPIRRUVVCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8)5-9-1-3-10-4-2-9/h6H,1-5H2.
What are the key properties of 4-(2,2-difluoroethyl)thiomorpholine?
4-(2,2-difluoroethyl)thiomorpholine has a molecular weight of 167.22 g/mol, XLogP of 1.30, 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)thiomorpholine is sourced from PubChem (CID 130625752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).