3-fluoro-2-methyl-8-azaspiro[4.5]decane

C10H18FN — CID 168860979

IUPAC3-fluoro-2-methyl-8-azaspiro[4.5]decane
SMILESCC1CC2(CCNCC2)CC1F
InChIInChI=1S/C10H18FN/c1-8-6-10(7-9(8)11)2-4-12-5-3-10/h8-9,12H,2-7H2,1H3
InChIKeyXKOGMWUKSQBJQZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.12
Rot. Bonds

About 3-fluoro-2-methyl-8-azaspiro[4.5]decane

3-fluoro-2-methyl-8-azaspiro[4.5]decane (PubChem CID 168860979) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-2-methyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-fluoro-2-methyl-8-azaspiro[4.5]decane
PubChem CID168860979
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-2-methyl-8-azaspiro[4.5]decane
SMILESCC1CC2(CCNCC2)CC1F
InChIInChI=1S/C10H18FN/c1-8-6-10(7-9(8)11)2-4-12-5-3-10/h8-9,12H,2-7H2,1H3
InChIKeyXKOGMWUKSQBJQZ-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-8-azaspiro[4.5]decane?
The IUPAC name of 3-fluoro-2-methyl-8-azaspiro[4.5]decane (CID 168860979) is 3-fluoro-2-methyl-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-fluoro-2-methyl-8-azaspiro[4.5]decane?
The canonical SMILES for 3-fluoro-2-methyl-8-azaspiro[4.5]decane is CC1CC2(CCNCC2)CC1F.
What is the InChIKey of 3-fluoro-2-methyl-8-azaspiro[4.5]decane?
The InChIKey is XKOGMWUKSQBJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-6-10(7-9(8)11)2-4-12-5-3-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-fluoro-2-methyl-8-azaspiro[4.5]decane?
3-fluoro-2-methyl-8-azaspiro[4.5]decane has a molecular weight of 171.26 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 168860979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).