1-fluorobicyclo[2.2.2]octane

C8H13F — CID 637902

IUPAC1-fluorobicyclo[2.2.2]octane
SMILESFC12CCC(CC1)CC2
InChIInChI=1S/C8H13F/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2
InChIKeyHAQDPSRBYOWAEI-UHFFFAOYSA-N
MW128.19 g/mol
LogP2.68
Rot. Bonds

About 1-fluorobicyclo[2.2.2]octane

1-fluorobicyclo[2.2.2]octane (PubChem CID 637902) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 1-fluorobicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-fluorobicyclo[2.2.2]octane
PubChem CID637902
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name1-fluorobicyclo[2.2.2]octane
SMILESFC12CCC(CC1)CC2
InChIInChI=1S/C8H13F/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2
InChIKeyHAQDPSRBYOWAEI-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobicyclo[2.2.2]octane?
The IUPAC name of 1-fluorobicyclo[2.2.2]octane (CID 637902) is 1-fluorobicyclo[2.2.2]octane.
What is the SMILES notation for 1-fluorobicyclo[2.2.2]octane?
The canonical SMILES for 1-fluorobicyclo[2.2.2]octane is FC12CCC(CC1)CC2.
What is the InChIKey of 1-fluorobicyclo[2.2.2]octane?
The InChIKey is HAQDPSRBYOWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2.
What are the key properties of 1-fluorobicyclo[2.2.2]octane?
1-fluorobicyclo[2.2.2]octane has a molecular weight of 128.19 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobicyclo[2.2.2]octane is sourced from PubChem (CID 637902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).