3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol

C8H11F3OS — CID 171951288

IUPAC3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)(F)F)CC2CCC(C1)S2
InChIInChI=1S/C8H11F3OS/c9-8(10,11)7(12)3-5-1-2-6(4-7)13-5/h5-6,12H,1-4H2
InChIKeyCHTULNJTERWBSH-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.34
Rot. Bonds

About 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol

3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171951288) has the molecular formula C8H11F3OS and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171951288
Molecular FormulaC8H11F3OS
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)(F)F)CC2CCC(C1)S2
InChIInChI=1S/C8H11F3OS/c9-8(10,11)7(12)3-5-1-2-6(4-7)13-5/h5-6,12H,1-4H2
InChIKeyCHTULNJTERWBSH-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol (CID 171951288) is 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol is OC1(C(F)(F)F)CC2CCC(C1)S2.
What is the InChIKey of 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is CHTULNJTERWBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3OS/c9-8(10,11)7(12)3-5-1-2-6(4-7)13-5/h5-6,12H,1-4H2.
What are the key properties of 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol?
3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 212.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-8-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171951288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).