9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane

C8H14FNS — CID 105436283

IUPAC9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
SMILESCC1(F)C2CNCC1CSC2
InChIInChI=1S/C8H14FNS/c1-8(9)6-2-10-3-7(8)5-11-4-6/h6-7,10H,2-5H2,1H3
InChIKeyGQDHOAYJAIKMIU-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.30
Rot. Bonds

About 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane

9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 105436283) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
PubChem CID105436283
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
SMILESCC1(F)C2CNCC1CSC2
InChIInChI=1S/C8H14FNS/c1-8(9)6-2-10-3-7(8)5-11-4-6/h6-7,10H,2-5H2,1H3
InChIKeyGQDHOAYJAIKMIU-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Thia-7-azabicyclo[3.3.1]nonane
CID 15035835
4-Fluoro-4-(thian-4-yl)piperidine
CID 83819654
3-Fluoro-3-(thian-4-yl)piperidine
CID 83819655
3-Fluoro-4-(thian-4-yl)piperidine
CID 105426907
3,3-Difluoro-4-(thian-4-yl)piperidine
CID 105426908
9-Fluoro-3-thia-7-azabicyclo[3.3.1]nonane
CID 105431708
9,9-Difluoro-3-thia-7-azabicyclo[3.3.1]nonane
CID 105438188
9-Fluoro-9-methyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 105460344
9,9-Difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride
CID 105469293
3-Fluoro-4-(thian-3-yl)piperidine
CID 115023175
4-Fluoro-3-(thian-3-yl)piperidine
CID 115023178
4-Fluoro-3-(thian-4-yl)piperidine
CID 115023179

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane (CID 105436283) is 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane is CC1(F)C2CNCC1CSC2.
What is the InChIKey of 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is GQDHOAYJAIKMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c1-8(9)6-2-10-3-7(8)5-11-4-6/h6-7,10H,2-5H2,1H3.
What are the key properties of 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane?
9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 175.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 105436283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).