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

C10H19F3N2S — CID 66422957

IUPACN-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
SMILESCCN(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-2-15(8-10(11,12)13)5-3-9-7-16-6-4-14-9/h9,14H,2-8H2,1H3
InChIKeyFNBQUVCTMWFDAE-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.97
Rot. Bonds5

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

N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine (PubChem CID 66422957) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
PubChem CID66422957
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
SMILESCCN(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-2-15(8-10(11,12)13)5-3-9-7-16-6-4-14-9/h9,14H,2-8H2,1H3
InChIKeyFNBQUVCTMWFDAE-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.97
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-(2-thiomorpholin-3-ylethyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine (CID 66422957) is N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine is CCN(CCC1CSCCN1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The InChIKey is FNBQUVCTMWFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-2-15(8-10(11,12)13)5-3-9-7-16-6-4-14-9/h9,14H,2-8H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
N-ethyl-2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine has a molecular weight of 256.34 g/mol, XLogP of 1.97, 5 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-(2-thiomorpholin-3-ylethyl)ethanamine is sourced from PubChem (CID 66422957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).