1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane

C12H21F — CID 167137861

IUPAC1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC(C)C12CCCC(F)(CCC1)C2
InChIInChI=1S/C12H21F/c1-10(2)11-5-3-7-12(13,9-11)8-4-6-11/h10H,3-9H2,1-2H3
InChIKeyGVXCXWWGLURILE-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.09
Rot. Bonds1

About 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane

1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane (PubChem CID 167137861) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane
PubChem CID167137861
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC(C)C12CCCC(F)(CCC1)C2
InChIInChI=1S/C12H21F/c1-10(2)11-5-3-7-12(13,9-11)8-4-6-11/h10H,3-9H2,1-2H3
InChIKeyGVXCXWWGLURILE-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane?
The IUPAC name of 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane (CID 167137861) is 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane?
The canonical SMILES for 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane is CC(C)C12CCCC(F)(CCC1)C2.
What is the InChIKey of 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane?
The InChIKey is GVXCXWWGLURILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-10(2)11-5-3-7-12(13,9-11)8-4-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane?
1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane has a molecular weight of 184.30 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 167137861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).