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

C9H15FO — CID 131065383

IUPAC(1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol
SMILESO[C@H]1C[C@@H]2CCC[C@](F)(C1)C2
InChIInChI=1S/C9H15FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7-8,11H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyDDUQOQJUBCENNR-XHNCKOQMSA-N
MW158.22 g/mol
LogP2.04
Rot. Bonds

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

(1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol (PubChem CID 131065383) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol
PubChem CID131065383
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol
SMILESO[C@H]1C[C@@H]2CCC[C@](F)(C1)C2
InChIInChI=1S/C9H15FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7-8,11H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyDDUQOQJUBCENNR-XHNCKOQMSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol (CID 131065383) is (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol is O[C@H]1C[C@@H]2CCC[C@](F)(C1)C2.
What is the InChIKey of (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol?
The InChIKey is DDUQOQJUBCENNR-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H15FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7-8,11H,1-6H2/t7-,8-,9+/m0/s1.
What are the key properties of (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol?
(1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol has a molecular weight of 158.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 131065383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).