[(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol

C10H17FO — CID 129413473

IUPAC[(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol
SMILESOCC1C[C@@H]2CCC[C@@H](C1)C2F
InChIInChI=1S/C10H17FO/c11-10-8-2-1-3-9(10)5-7(4-8)6-12/h7-10,12H,1-6H2/t7?,8-,9-,10?/m0/s1
InChIKeySNKXHVKJZOJGAA-ZNHWEVIXSA-N
MW172.24 g/mol
LogP2.14
Rot. Bonds1

About [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol

[(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol (PubChem CID 129413473) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol.

Molecular Properties

Compound Name[(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol
PubChem CID129413473
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name[(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol
SMILESOCC1C[C@@H]2CCC[C@@H](C1)C2F
InChIInChI=1S/C10H17FO/c11-10-8-2-1-3-9(10)5-7(4-8)6-12/h7-10,12H,1-6H2/t7?,8-,9-,10?/m0/s1
InChIKeySNKXHVKJZOJGAA-ZNHWEVIXSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol?
The IUPAC name of [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol (CID 129413473) is [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol.
What is the SMILES notation for [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol?
The canonical SMILES for [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol is OCC1C[C@@H]2CCC[C@@H](C1)C2F.
What is the InChIKey of [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol?
The InChIKey is SNKXHVKJZOJGAA-ZNHWEVIXSA-N. The full InChI is InChI=1S/C10H17FO/c11-10-8-2-1-3-9(10)5-7(4-8)6-12/h7-10,12H,1-6H2/t7?,8-,9-,10?/m0/s1.
What are the key properties of [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol?
[(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol has a molecular weight of 172.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-9-fluoro-3-bicyclo[3.3.1]nonanyl]methanol is sourced from PubChem (CID 129413473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).