1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane

C11H19F — CID 170122585

IUPAC1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
SMILESCC1CC2CC(C)CC(F)(C1)C2
InChIInChI=1S/C11H19F/c1-8-3-10-4-9(2)6-11(12,5-8)7-10/h8-10H,3-7H2,1-2H3
InChIKeyKOAUGNFHIHUNTM-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.56
Rot. Bonds

About 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane

1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane (PubChem CID 170122585) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
PubChem CID170122585
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
SMILESCC1CC2CC(C)CC(F)(C1)C2
InChIInChI=1S/C11H19F/c1-8-3-10-4-9(2)6-11(12,5-8)7-10/h8-10H,3-7H2,1-2H3
InChIKeyKOAUGNFHIHUNTM-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane?
The IUPAC name of 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane (CID 170122585) is 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane?
The canonical SMILES for 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane is CC1CC2CC(C)CC(F)(C1)C2.
What is the InChIKey of 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane?
The InChIKey is KOAUGNFHIHUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-8-3-10-4-9(2)6-11(12,5-8)7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane?
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane has a molecular weight of 170.27 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane is sourced from PubChem (CID 170122585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).