4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine

C6H8F3N3S — CID 105156282

IUPAC4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)2-1-4(10)5-3-13-12-11-5/h3-4H,1-2,10H2
InChIKeyWQUPWVWSYAXFHP-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.88
Rot. Bonds3

About 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine

4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine (PubChem CID 105156282) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
PubChem CID105156282
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)2-1-4(10)5-3-13-12-11-5/h3-4H,1-2,10H2
InChIKeyWQUPWVWSYAXFHP-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine (CID 105156282) is 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine is NC(CCC(F)(F)F)c1csnn1.
What is the InChIKey of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
The InChIKey is WQUPWVWSYAXFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c7-6(8,9)2-1-4(10)5-3-13-12-11-5/h3-4H,1-2,10H2.
What are the key properties of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine is sourced from PubChem (CID 105156282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).