4,4,4-trifluoro-3-methylsulfanylbutan-1-ol

C5H9F3OS — CID 87203165

IUPAC4,4,4-trifluoro-3-methylsulfanylbutan-1-ol
SMILESCSC(CCO)C(F)(F)F
InChIInChI=1S/C5H9F3OS/c1-10-4(2-3-9)5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyJYCWRNCRPGUGIR-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.66
Rot. Bonds3

About 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol

4,4,4-trifluoro-3-methylsulfanylbutan-1-ol (PubChem CID 87203165) has the molecular formula C5H9F3OS and a molecular weight of 174.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methylsulfanylbutan-1-ol
PubChem CID87203165
Molecular FormulaC5H9F3OS
Molecular Weight174.19 g/mol
Exact Mass174.03
IUPAC Name4,4,4-trifluoro-3-methylsulfanylbutan-1-ol
SMILESCSC(CCO)C(F)(F)F
InChIInChI=1S/C5H9F3OS/c1-10-4(2-3-9)5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyJYCWRNCRPGUGIR-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol (CID 87203165) is 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol is CSC(CCO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol?
The InChIKey is JYCWRNCRPGUGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3OS/c1-10-4(2-3-9)5(6,7)8/h4,9H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol?
4,4,4-trifluoro-3-methylsulfanylbutan-1-ol has a molecular weight of 174.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methylsulfanylbutan-1-ol is sourced from PubChem (CID 87203165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).