1-fluorobicyclo[3.3.1]nonan-3-one

C9H13FO — CID 15939708

IUPAC1-fluorobicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(F)(C1)C2
InChIInChI=1S/C9H13FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7H,1-6H2
InChIKeySMRRHXWTCQFVAD-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.25
Rot. Bonds

About 1-fluorobicyclo[3.3.1]nonan-3-one

1-fluorobicyclo[3.3.1]nonan-3-one (PubChem CID 15939708) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-fluorobicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name1-fluorobicyclo[3.3.1]nonan-3-one
PubChem CID15939708
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-fluorobicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(F)(C1)C2
InChIInChI=1S/C9H13FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7H,1-6H2
InChIKeySMRRHXWTCQFVAD-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dicyclohexyl ketone
CID 8403
Bicyclo[3.3.1]nonane-2,6-dione
CID 140084
Bicyclo(3.3.1)nonan-9-one
CID 86638
5-Fluoroadamantan-2-one
CID 12653455
Bicyclo(3.3.1)nonan-2-one
CID 137645
(1S,5S)-bicyclo[3.3.1]nonane-2,6-dione
CID 713530
Bicyclo(3.3.1)nonan-3-one
CID 276875
7-Methylbicyclo[3.3.1]nonan-3-one
CID 4329389
Bicyclo[3.3.1]nonane-3,7-dione
CID 643315
(1R,5R)-bicyclo[3.3.1]nonane-2,6-dione
CID 643319
Bicyclo[3.3.1]nonane-2,9-dione
CID 14914422
4-Fluoro-2-adamantanone
CID 556354

Frequently Asked Questions

What is the IUPAC name of 1-fluorobicyclo[3.3.1]nonan-3-one?
The IUPAC name of 1-fluorobicyclo[3.3.1]nonan-3-one (CID 15939708) is 1-fluorobicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 1-fluorobicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 1-fluorobicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(F)(C1)C2.
What is the InChIKey of 1-fluorobicyclo[3.3.1]nonan-3-one?
The InChIKey is SMRRHXWTCQFVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7H,1-6H2.
What are the key properties of 1-fluorobicyclo[3.3.1]nonan-3-one?
1-fluorobicyclo[3.3.1]nonan-3-one has a molecular weight of 156.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 15939708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).