2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane

C10H18FN — CID 176993764

IUPAC2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane
SMILESCC(C)N1CCC2(CC1)CC2F
InChIInChI=1S/C10H18FN/c1-8(2)12-5-3-10(4-6-12)7-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyVMQGKJKJXFELHW-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

About 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane

2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane (PubChem CID 176993764) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane
PubChem CID176993764
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane
SMILESCC(C)N1CCC2(CC1)CC2F
InChIInChI=1S/C10H18FN/c1-8(2)12-5-3-10(4-6-12)7-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyVMQGKJKJXFELHW-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane?
The IUPAC name of 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane (CID 176993764) is 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane.
What is the SMILES notation for 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane?
The canonical SMILES for 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane is CC(C)N1CCC2(CC1)CC2F.
What is the InChIKey of 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane?
The InChIKey is VMQGKJKJXFELHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)12-5-3-10(4-6-12)7-9(10)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane?
2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane has a molecular weight of 171.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-propan-2-yl-6-azaspiro[2.5]octane is sourced from PubChem (CID 176993764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).