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

C8H13F3OS — CID 83191539

IUPAC4-(4,4,4-trifluorobutyl)thiolan-3-ol
SMILESOC1CSCC1CCCC(F)(F)F
InChIInChI=1S/C8H13F3OS/c9-8(10,11)3-1-2-6-4-13-5-7(6)12/h6-7,12H,1-5H2
InChIKeyUMTRJPPROQYSGX-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.44
Rot. Bonds3

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

4-(4,4,4-trifluorobutyl)thiolan-3-ol (PubChem CID 83191539) has the molecular formula C8H13F3OS and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutyl)thiolan-3-ol
PubChem CID83191539
Molecular FormulaC8H13F3OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name4-(4,4,4-trifluorobutyl)thiolan-3-ol
SMILESOC1CSCC1CCCC(F)(F)F
InChIInChI=1S/C8H13F3OS/c9-8(10,11)3-1-2-6-4-13-5-7(6)12/h6-7,12H,1-5H2
InChIKeyUMTRJPPROQYSGX-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutyl)thiolan-3-ol?
The IUPAC name of 4-(4,4,4-trifluorobutyl)thiolan-3-ol (CID 83191539) is 4-(4,4,4-trifluorobutyl)thiolan-3-ol.
What is the SMILES notation for 4-(4,4,4-trifluorobutyl)thiolan-3-ol?
The canonical SMILES for 4-(4,4,4-trifluorobutyl)thiolan-3-ol is OC1CSCC1CCCC(F)(F)F.
What is the InChIKey of 4-(4,4,4-trifluorobutyl)thiolan-3-ol?
The InChIKey is UMTRJPPROQYSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OS/c9-8(10,11)3-1-2-6-4-13-5-7(6)12/h6-7,12H,1-5H2.
What are the key properties of 4-(4,4,4-trifluorobutyl)thiolan-3-ol?
4-(4,4,4-trifluorobutyl)thiolan-3-ol has a molecular weight of 214.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutyl)thiolan-3-ol is sourced from PubChem (CID 83191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).