8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane

C9H17FN2 — CID 171068834

IUPAC8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(F)CC2)C1
InChIInChI=1S/C9H17FN2/c1-11-5-2-9(8-11)3-6-12(10)7-4-9/h2-8H2,1H3
InChIKeyBRBZGHBTDMDZBJ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.29
Rot. Bonds

About 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane

8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 171068834) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID171068834
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(F)CC2)C1
InChIInChI=1S/C9H17FN2/c1-11-5-2-9(8-11)3-6-12(10)7-4-9/h2-8H2,1H3
InChIKeyBRBZGHBTDMDZBJ-UHFFFAOYSA-N
XLogP1.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane (CID 171068834) is 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CCN(F)CC2)C1.
What is the InChIKey of 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BRBZGHBTDMDZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-11-5-2-9(8-11)3-6-12(10)7-4-9/h2-8H2,1H3.
What are the key properties of 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane?
8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 172.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 171068834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).