4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine

C8H15F3N2S — CID 43753140

IUPAC4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine
SMILESNCCC(N1CCSCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)7(1-2-12)13-3-5-14-6-4-13/h7H,1-6,12H2
InChIKeyNZJJYGZGMJIRSW-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.31
Rot. Bonds3

About 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine

4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine (PubChem CID 43753140) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine
PubChem CID43753140
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine
SMILESNCCC(N1CCSCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)7(1-2-12)13-3-5-14-6-4-13/h7H,1-6,12H2
InChIKeyNZJJYGZGMJIRSW-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine (CID 43753140) is 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine is NCCC(N1CCSCC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine?
The InChIKey is NZJJYGZGMJIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)7(1-2-12)13-3-5-14-6-4-13/h7H,1-6,12H2.
What are the key properties of 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine?
4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine has a molecular weight of 228.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-thiomorpholin-4-ylbutan-1-amine is sourced from PubChem (CID 43753140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).