3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol

C6H8F2N2OS — CID 130658745

IUPAC3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol
SMILESCC(F)(F)C(O)Cc1csnn1
InChIInChI=1S/C6H8F2N2OS/c1-6(7,8)5(11)2-4-3-12-10-9-4/h3,5,11H,2H2,1H3
InChIKeyHPKADIBOSCYEPK-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.10
Rot. Bonds3

About 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol

3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol (PubChem CID 130658745) has the molecular formula C6H8F2N2OS and a molecular weight of 194.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol
PubChem CID130658745
Molecular FormulaC6H8F2N2OS
Molecular Weight194.21 g/mol
Exact Mass194.03
IUPAC Name3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol
SMILESCC(F)(F)C(O)Cc1csnn1
InChIInChI=1S/C6H8F2N2OS/c1-6(7,8)5(11)2-4-3-12-10-9-4/h3,5,11H,2H2,1H3
InChIKeyHPKADIBOSCYEPK-UHFFFAOYSA-N
XLogP1.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol?
The IUPAC name of 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol (CID 130658745) is 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol.
What is the SMILES notation for 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol?
The canonical SMILES for 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol is CC(F)(F)C(O)Cc1csnn1.
What is the InChIKey of 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol?
The InChIKey is HPKADIBOSCYEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2OS/c1-6(7,8)5(11)2-4-3-12-10-9-4/h3,5,11H,2H2,1H3.
What are the key properties of 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol?
3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol has a molecular weight of 194.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(thiadiazol-4-yl)butan-2-ol is sourced from PubChem (CID 130658745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).