4-(3,3,3-trifluoropropyl)thiolan-3-ol

C7H11F3OS — CID 83191451

IUPAC4-(3,3,3-trifluoropropyl)thiolan-3-ol
SMILESOC1CSCC1CCC(F)(F)F
InChIInChI=1S/C7H11F3OS/c8-7(9,10)2-1-5-3-12-4-6(5)11/h5-6,11H,1-4H2
InChIKeyYDMDNCAXBUQSDX-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.05
Rot. Bonds2

About 4-(3,3,3-trifluoropropyl)thiolan-3-ol

4-(3,3,3-trifluoropropyl)thiolan-3-ol (PubChem CID 83191451) has the molecular formula C7H11F3OS and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)thiolan-3-ol
PubChem CID83191451
Molecular FormulaC7H11F3OS
Molecular Weight200.22 g/mol
Exact Mass200.05
IUPAC Name4-(3,3,3-trifluoropropyl)thiolan-3-ol
SMILESOC1CSCC1CCC(F)(F)F
InChIInChI=1S/C7H11F3OS/c8-7(9,10)2-1-5-3-12-4-6(5)11/h5-6,11H,1-4H2
InChIKeyYDMDNCAXBUQSDX-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)thiolan-3-ol?
The IUPAC name of 4-(3,3,3-trifluoropropyl)thiolan-3-ol (CID 83191451) is 4-(3,3,3-trifluoropropyl)thiolan-3-ol.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)thiolan-3-ol?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)thiolan-3-ol is OC1CSCC1CCC(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)thiolan-3-ol?
The InChIKey is YDMDNCAXBUQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3OS/c8-7(9,10)2-1-5-3-12-4-6(5)11/h5-6,11H,1-4H2.
What are the key properties of 4-(3,3,3-trifluoropropyl)thiolan-3-ol?
4-(3,3,3-trifluoropropyl)thiolan-3-ol has a molecular weight of 200.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)thiolan-3-ol is sourced from PubChem (CID 83191451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).