4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine

C8H10F3N3S — CID 63380914

IUPAC4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine
SMILESNCCC(Sc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6(1-2-12)15-7-5-13-3-4-14-7/h3-6H,1-2,12H2
InChIKeyMUHCBQALORREHW-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.85
Rot. Bonds4

About 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine

4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine (PubChem CID 63380914) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine
PubChem CID63380914
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine
SMILESNCCC(Sc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6(1-2-12)15-7-5-13-3-4-14-7/h3-6H,1-2,12H2
InChIKeyMUHCBQALORREHW-UHFFFAOYSA-N
XLogP1.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-3-propylsulfanylpyrazine
CID 85967017
2-(4,4-Difluorobut-3-enylsulfanyl)pyrazine
CID 21850579
2,3-Bis(4,4-difluorobut-3-enylsulfanyl)pyrazine
CID 21850585
2-Propylsulfanylpyrazine
CID 12488726
1,1,1-Trifluoro-2-pyrazin-2-ylsulfanylpentan-3-amine
CID 63380474
4,4,4-Trifluoro-3-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380475
3,3,3-Trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 63380515
2,2,2-trifluoro-N-(2-pyrazin-2-ylsulfanylethyl)ethanamine
CID 63381215
2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63381857
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanylpyrazine
CID 64758126
3,3,3-Trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanenitrile
CID 103371247
3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
CID 103371352

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine (CID 63380914) is 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine is NCCC(Sc1cnccn1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine?
The InChIKey is MUHCBQALORREHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)6(1-2-12)15-7-5-13-3-4-14-7/h3-6H,1-2,12H2.
What are the key properties of 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine?
4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine has a molecular weight of 237.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 63380914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).