(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol

C9H15FO — CID 129413467

IUPAC(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@@H]2CCC[C@@H](C1)C2F
InChIInChI=1S/C9H15FO/c10-9-6-2-1-3-7(9)5-8(11)4-6/h6-9,11H,1-5H2/t6-,7-,8?,9?/m0/s1
InChIKeyVDCAAQXYEHPIJT-MSIFESELSA-N
MW158.22 g/mol
LogP1.90
Rot. Bonds

About (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol

(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol (PubChem CID 129413467) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol
PubChem CID129413467
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@@H]2CCC[C@@H](C1)C2F
InChIInChI=1S/C9H15FO/c10-9-6-2-1-3-7(9)5-8(11)4-6/h6-9,11H,1-5H2/t6-,7-,8?,9?/m0/s1
InChIKeyVDCAAQXYEHPIJT-MSIFESELSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol (CID 129413467) is (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol is OC1C[C@@H]2CCC[C@@H](C1)C2F.
What is the InChIKey of (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol?
The InChIKey is VDCAAQXYEHPIJT-MSIFESELSA-N. The full InChI is InChI=1S/C9H15FO/c10-9-6-2-1-3-7(9)5-8(11)4-6/h6-9,11H,1-5H2/t6-,7-,8?,9?/m0/s1.
What are the key properties of (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol?
(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol has a molecular weight of 158.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 129413467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).