2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H19F3N2S — CID 103366467

IUPAC2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC1CN(CC(CN)C(F)(F)F)CCS1
InChIInChI=1S/C10H19F3N2S/c1-2-9-7-15(3-4-16-9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyOQFUGFDHQWATIR-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.95
Rot. Bonds4

About 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366467) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366467
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC1CN(CC(CN)C(F)(F)F)CCS1
InChIInChI=1S/C10H19F3N2S/c1-2-9-7-15(3-4-16-9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyOQFUGFDHQWATIR-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366467) is 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCC1CN(CC(CN)C(F)(F)F)CCS1.
What is the InChIKey of 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is OQFUGFDHQWATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-2-9-7-15(3-4-16-9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 256.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).