6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane

C10H18FN — CID 170355658

IUPAC6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane
SMILESCC(F)CC1CC2(C1)CN(C)C2
InChIInChI=1S/C10H18FN/c1-8(11)3-9-4-10(5-9)6-12(2)7-10/h8-9H,3-7H2,1-2H3
InChIKeyIBYKEOZCCGDSKP-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.08
Rot. Bonds2

About 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane

6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 170355658) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane
PubChem CID170355658
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane
SMILESCC(F)CC1CC2(C1)CN(C)C2
InChIInChI=1S/C10H18FN/c1-8(11)3-9-4-10(5-9)6-12(2)7-10/h8-9H,3-7H2,1-2H3
InChIKeyIBYKEOZCCGDSKP-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane (CID 170355658) is 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane is CC(F)CC1CC2(C1)CN(C)C2.
What is the InChIKey of 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is IBYKEOZCCGDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(11)3-9-4-10(5-9)6-12(2)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane?
6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 171.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropyl)-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170355658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).