7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol

C8H12F2OS — CID 115019816

IUPAC7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
SMILESOC1C2CSCC1CC(F)(F)C2
InChIInChI=1S/C8H12F2OS/c9-8(10)1-5-3-12-4-6(2-8)7(5)11/h5-7,11H,1-4H2
InChIKeyISTPZZFTWHQGBY-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.76
Rot. Bonds

About 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol

7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol (PubChem CID 115019816) has the molecular formula C8H12F2OS and a molecular weight of 194.25 g/mol. Its IUPAC name is 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
PubChem CID115019816
Molecular FormulaC8H12F2OS
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
SMILESOC1C2CSCC1CC(F)(F)C2
InChIInChI=1S/C8H12F2OS/c9-8(10)1-5-3-12-4-6(2-8)7(5)11/h5-7,11H,1-4H2
InChIKeyISTPZZFTWHQGBY-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 114224720
7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115018305
(7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115025866
7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115035491
2-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
CID 116617339
1,1,1-Trifluoro-3-(thian-3-yl)propan-2-ol
CID 165742706
3-Thiabicyclo[3.3.1]nonan-9-ol
CID 91308315
7-Methyl-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115014090

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol (CID 115019816) is 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol is OC1C2CSCC1CC(F)(F)C2.
What is the InChIKey of 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol?
The InChIKey is ISTPZZFTWHQGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2OS/c9-8(10)1-5-3-12-4-6(2-8)7(5)11/h5-7,11H,1-4H2.
What are the key properties of 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol?
7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol has a molecular weight of 194.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 115019816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).