5-(trifluoromethyl)thiolan-3-ol

C5H7F3OS — CID 123390086

IUPAC5-(trifluoromethyl)thiolan-3-ol
SMILESOC1CSC(C(F)(F)F)C1
InChIInChI=1S/C5H7F3OS/c6-5(7,8)4-1-3(9)2-10-4/h3-4,9H,1-2H2
InChIKeyBZYUNHXDEIAAOE-UHFFFAOYSA-N
MW172.17 g/mol
LogP1.42
Rot. Bonds

About 5-(trifluoromethyl)thiolan-3-ol

5-(trifluoromethyl)thiolan-3-ol (PubChem CID 123390086) has the molecular formula C5H7F3OS and a molecular weight of 172.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)thiolan-3-ol.

Molecular Properties

Compound Name5-(trifluoromethyl)thiolan-3-ol
PubChem CID123390086
Molecular FormulaC5H7F3OS
Molecular Weight172.17 g/mol
Exact Mass172.02
IUPAC Name5-(trifluoromethyl)thiolan-3-ol
SMILESOC1CSC(C(F)(F)F)C1
InChIInChI=1S/C5H7F3OS/c6-5(7,8)4-1-3(9)2-10-4/h3-4,9H,1-2H2
InChIKeyBZYUNHXDEIAAOE-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)thiolan-3-ol?
The IUPAC name of 5-(trifluoromethyl)thiolan-3-ol (CID 123390086) is 5-(trifluoromethyl)thiolan-3-ol.
What is the SMILES notation for 5-(trifluoromethyl)thiolan-3-ol?
The canonical SMILES for 5-(trifluoromethyl)thiolan-3-ol is OC1CSC(C(F)(F)F)C1.
What is the InChIKey of 5-(trifluoromethyl)thiolan-3-ol?
The InChIKey is BZYUNHXDEIAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3OS/c6-5(7,8)4-1-3(9)2-10-4/h3-4,9H,1-2H2.
What are the key properties of 5-(trifluoromethyl)thiolan-3-ol?
5-(trifluoromethyl)thiolan-3-ol has a molecular weight of 172.17 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)thiolan-3-ol is sourced from PubChem (CID 123390086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).