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

C6H7F3N2OS — CID 105104670

IUPAC4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)2-1-5(12)4-3-13-11-10-4/h3,5,12H,1-2H2
InChIKeyKYGZWIKJKPYCLJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.91
Rot. Bonds3

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

4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol (PubChem CID 105104670) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol
PubChem CID105104670
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)2-1-5(12)4-3-13-11-10-4/h3,5,12H,1-2H2
InChIKeyKYGZWIKJKPYCLJ-UHFFFAOYSA-N
XLogP1.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.91
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-ol?
The IUPAC name of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol (CID 105104670) is 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol is OC(CCC(F)(F)F)c1csnn1.
What is the InChIKey of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol?
The InChIKey is KYGZWIKJKPYCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)2-1-5(12)4-3-13-11-10-4/h3,5,12H,1-2H2.
What are the key properties of 4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol?
4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-ol has a molecular weight of 212.20 g/mol, XLogP of 1.91, 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-ol is sourced from PubChem (CID 105104670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).