2-(trifluoromethylsulfanyl)propan-1-ol

C4H7F3OS — CID 87470241

IUPAC2-(trifluoromethylsulfanyl)propan-1-ol
SMILESCC(CO)SC(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-3(2-8)9-4(5,6)7/h3,8H,2H2,1H3
InChIKeyYVEYJCUGGXJXHR-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.62
Rot. Bonds2

About 2-(trifluoromethylsulfanyl)propan-1-ol

2-(trifluoromethylsulfanyl)propan-1-ol (PubChem CID 87470241) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)propan-1-ol
PubChem CID87470241
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name2-(trifluoromethylsulfanyl)propan-1-ol
SMILESCC(CO)SC(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-3(2-8)9-4(5,6)7/h3,8H,2H2,1H3
InChIKeyYVEYJCUGGXJXHR-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)propan-1-ol?
The IUPAC name of 2-(trifluoromethylsulfanyl)propan-1-ol (CID 87470241) is 2-(trifluoromethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(trifluoromethylsulfanyl)propan-1-ol is CC(CO)SC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)propan-1-ol?
The InChIKey is YVEYJCUGGXJXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c1-3(2-8)9-4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 2-(trifluoromethylsulfanyl)propan-1-ol?
2-(trifluoromethylsulfanyl)propan-1-ol has a molecular weight of 160.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)propan-1-ol is sourced from PubChem (CID 87470241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).