(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one

C9H11FO — CID 10654444

IUPAC(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
SMILESO=C1[C@@H]2CC3C[C@H]1CC3(F)C2
InChIInChI=1S/C9H11FO/c10-9-3-5-1-7(9)2-6(4-9)8(5)11/h5-7H,1-4H2/t5-,6+,7?,9?
InChIKeyFVEVRESQRWANEP-YJYOEFFTSA-N
MW154.18 g/mol
LogP1.71
Rot. Bonds

About (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one

(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one (PubChem CID 10654444) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one.

Molecular Properties

Compound Name(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
PubChem CID10654444
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
SMILESO=C1[C@@H]2CC3C[C@H]1CC3(F)C2
InChIInChI=1S/C9H11FO/c10-9-3-5-1-7(9)2-6(4-9)8(5)11/h5-7H,1-4H2/t5-,6+,7?,9?
InChIKeyFVEVRESQRWANEP-YJYOEFFTSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one?
The IUPAC name of (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one (CID 10654444) is (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one.
What is the SMILES notation for (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one?
The canonical SMILES for (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one is O=C1[C@@H]2CC3C[C@H]1CC3(F)C2.
What is the InChIKey of (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one?
The InChIKey is FVEVRESQRWANEP-YJYOEFFTSA-N. The full InChI is InChI=1S/C9H11FO/c10-9-3-5-1-7(9)2-6(4-9)8(5)11/h5-7H,1-4H2/t5-,6+,7?,9?.
What are the key properties of (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one?
(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one has a molecular weight of 154.18 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one is sourced from PubChem (CID 10654444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).