3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine

C8H10F3NOS — CID 107779982

IUPAC3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
SMILESCc1occc1SC(CN)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-5-6(2-3-13-5)14-7(4-12)8(9,10)11/h2-3,7H,4,12H2,1H3
InChIKeyGFYAIWZXELMZGU-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.57
Rot. Bonds3

About 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine

3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine (PubChem CID 107779982) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
PubChem CID107779982
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
SMILESCc1occc1SC(CN)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-5-6(2-3-13-5)14-7(4-12)8(9,10)11/h2-3,7H,4,12H2,1H3
InChIKeyGFYAIWZXELMZGU-UHFFFAOYSA-N
XLogP2.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine (CID 107779982) is 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine is Cc1occc1SC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The InChIKey is GFYAIWZXELMZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5-6(2-3-13-5)14-7(4-12)8(9,10)11/h2-3,7H,4,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 107779982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).