9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride

C7H12ClF2NS — CID 105469293

IUPAC9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride
SMILESCl.FC1(F)C2CNCC1CSC2
InChIInChI=1S/C7H11F2NS.ClH/c8-7(9)5-1-10-2-6(7)4-11-3-5;/h5-6,10H,1-4H2;1H
InChIKeyRTEBDZMVHJHVQO-UHFFFAOYSA-N
MW215.70 g/mol
LogP1.63
Rot. Bonds

About 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride

9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride (PubChem CID 105469293) has the molecular formula C7H12ClF2NS and a molecular weight of 215.70 g/mol. Its IUPAC name is 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride.

Molecular Properties

Compound Name9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride
PubChem CID105469293
Molecular FormulaC7H12ClF2NS
Molecular Weight215.70 g/mol
Exact Mass215.03
IUPAC Name9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride
SMILESCl.FC1(F)C2CNCC1CSC2
InChIInChI=1S/C7H11F2NS.ClH/c8-7(9)5-1-10-2-6(7)4-11-3-5;/h5-6,10H,1-4H2;1H
InChIKeyRTEBDZMVHJHVQO-UHFFFAOYSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

3Lambda4-thia-7-azabicyclo(3.3.1)nonan-3-one hydrochloride
CID 145874597
3-Thia-7-azabicyclo[3.3.1]nonane
CID 15035835
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CID 105464840
9-Fluoro-3-thia-7-azabicyclo[3.3.1]nonane
CID 105431708
9-Fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 105436283
9,9-Difluoro-3-thia-7-azabicyclo[3.3.1]nonane
CID 105438188
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione hydrochloride
CID 105507299
3-(Difluoromethylsulfanylmethyl)piperidine
CID 168024446
3-{[(Trifluoromethyl)sulfanyl]methyl}piperidine hydrochloride
CID 168024447
3-(Trifluoromethylsulfanylmethyl)piperidine
CID 168024448
2-Thia-7-azabicyclo[3.3.1]nonane
CID 122671848
Ethane;3-thia-7-azabicyclo[3.3.1]nonane
CID 167500782

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride?
The IUPAC name of 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride (CID 105469293) is 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride.
What is the SMILES notation for 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride?
The canonical SMILES for 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride is Cl.FC1(F)C2CNCC1CSC2.
What is the InChIKey of 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride?
The InChIKey is RTEBDZMVHJHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NS.ClH/c8-7(9)5-1-10-2-6(7)4-11-3-5;/h5-6,10H,1-4H2;1H.
What are the key properties of 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride?
9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride is sourced from PubChem (CID 105469293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).