5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol

C7H9F3N2OS — CID 105120610

IUPAC5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1csnn1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)3-1-2-6(13)5-4-14-12-11-5/h4,6,13H,1-3H2
InChIKeyUSZOXWQUIJKATB-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.30
Rot. Bonds4

About 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol

5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol (PubChem CID 105120610) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol
PubChem CID105120610
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1csnn1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)3-1-2-6(13)5-4-14-12-11-5/h4,6,13H,1-3H2
InChIKeyUSZOXWQUIJKATB-UHFFFAOYSA-N
XLogP2.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol (CID 105120610) is 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol is OC(CCCC(F)(F)F)c1csnn1.
What is the InChIKey of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol?
The InChIKey is USZOXWQUIJKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)3-1-2-6(13)5-4-14-12-11-5/h4,6,13H,1-3H2.
What are the key properties of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol has a molecular weight of 226.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol is sourced from PubChem (CID 105120610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).