N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine

C9H17F3N2S — CID 82916666

IUPACN-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESCCN(CC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-2-14(7-9(10,11)12)5-8-6-15-4-3-13-8/h8,13H,2-7H2,1H3
InChIKeyCLWDZQPMKQBIOE-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.58
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine

N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine (PubChem CID 82916666) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine
PubChem CID82916666
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESCCN(CC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-2-14(7-9(10,11)12)5-8-6-15-4-3-13-8/h8,13H,2-7H2,1H3
InChIKeyCLWDZQPMKQBIOE-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine (CID 82916666) is N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine is CCN(CC1CSCCN1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine?
The InChIKey is CLWDZQPMKQBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-2-14(7-9(10,11)12)5-8-6-15-4-3-13-8/h8,13H,2-7H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine?
N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine has a molecular weight of 242.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 82916666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).