2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C11H20FN — CID 135130399

IUPAC2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1F)N2C
InChIInChI=1S/C11H20FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-11H,4-6H2,1-3H3
InChIKeyONEVGZOXQPGCRT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.46
Rot. Bonds1

About 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 135130399) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID135130399
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1F)N2C
InChIInChI=1S/C11H20FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-11H,4-6H2,1-3H3
InChIKeyONEVGZOXQPGCRT-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 135130399) is 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)C1CC2CCC(C1F)N2C.
What is the InChIKey of 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is ONEVGZOXQPGCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 185.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 135130399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).