1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane

C11H19F — CID 12765179

IUPAC1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane
SMILESCC(C)C12CCC(F)(CC1)CC2
InChIInChI=1S/C11H19F/c1-9(2)10-3-6-11(12,7-4-10)8-5-10/h9H,3-8H2,1-2H3
InChIKeyHNPJSOIHGKRMDL-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.70
Rot. Bonds1

About 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane

1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane (PubChem CID 12765179) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane
PubChem CID12765179
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane
SMILESCC(C)C12CCC(F)(CC1)CC2
InChIInChI=1S/C11H19F/c1-9(2)10-3-6-11(12,7-4-10)8-5-10/h9H,3-8H2,1-2H3
InChIKeyHNPJSOIHGKRMDL-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane?
The IUPAC name of 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane (CID 12765179) is 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane?
The canonical SMILES for 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane is CC(C)C12CCC(F)(CC1)CC2.
What is the InChIKey of 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane?
The InChIKey is HNPJSOIHGKRMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-9(2)10-3-6-11(12,7-4-10)8-5-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane?
1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane has a molecular weight of 170.27 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-ylbicyclo[2.2.2]octane is sourced from PubChem (CID 12765179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).