(7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

C9H14F2OS — CID 115025866

IUPAC(7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESOCC1C2CSCC1CC(F)(F)C2
InChIInChI=1S/C9H14F2OS/c10-9(11)1-6-4-13-5-7(2-9)8(6)3-12/h6-8,12H,1-5H2
InChIKeyMHWBKTQFMFBCFY-UHFFFAOYSA-N
MW208.27 g/mol
LogP2.00
Rot. Bonds1

About (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115025866) has the molecular formula C9H14F2OS and a molecular weight of 208.27 g/mol. Its IUPAC name is (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115025866
Molecular FormulaC9H14F2OS
Molecular Weight208.27 g/mol
Exact Mass208.07
IUPAC Name(7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESOCC1C2CSCC1CC(F)(F)C2
InChIInChI=1S/C9H14F2OS/c10-9(11)1-6-4-13-5-7(2-9)8(6)3-12/h6-8,12H,1-5H2
InChIKeyMHWBKTQFMFBCFY-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115019816
(7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115023694
(7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115043653
3-Thiabicyclo[3.3.1]nonan-9-ylmethanol
CID 115014091
(7-Methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115017187

Frequently Asked Questions

What is the IUPAC name of (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115025866) is (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol is OCC1C2CSCC1CC(F)(F)C2.
What is the InChIKey of (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is MHWBKTQFMFBCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2OS/c10-9(11)1-6-4-13-5-7(2-9)8(6)3-12/h6-8,12H,1-5H2.
What are the key properties of (7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7,7-difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 208.27 g/mol, XLogP of 2.00, 1 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-yl)methanol is sourced from PubChem (CID 115025866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).