3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine

C12H22F3N3S — CID 66419968

IUPAC3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)CN1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C12H22F3N3S/c13-12(14,15)10-18-6-4-17(5-7-18)3-1-11-9-19-8-2-16-11/h11,16H,1-10H2
InChIKeyFPLVNZGKWKWLOE-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.26
Rot. Bonds4

About 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine

3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine (PubChem CID 66419968) has the molecular formula C12H22F3N3S and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
PubChem CID66419968
Molecular FormulaC12H22F3N3S
Molecular Weight297.39 g/mol
Exact Mass297.15
IUPAC Name3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)CN1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C12H22F3N3S/c13-12(14,15)10-18-6-4-17(5-7-18)3-1-11-9-19-8-2-16-11/h11,16H,1-10H2
InChIKeyFPLVNZGKWKWLOE-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine?
The IUPAC name of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine (CID 66419968) is 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine?
The canonical SMILES for 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine is FC(F)(F)CN1CCN(CCC2CSCCN2)CC1.
What is the InChIKey of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine?
The InChIKey is FPLVNZGKWKWLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3S/c13-12(14,15)10-18-6-4-17(5-7-18)3-1-11-9-19-8-2-16-11/h11,16H,1-10H2.
What are the key properties of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine?
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine has a molecular weight of 297.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine is sourced from PubChem (CID 66419968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).