2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane

C13H24FN — CID 155739562

IUPAC2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCC(C)CN1CCC2(CC1)CC(CF)C2
InChIInChI=1S/C13H24FN/c1-11(2)10-15-5-3-13(4-6-15)7-12(8-13)9-14/h11-12H,3-10H2,1-2H3
InChIKeyVEAXGQCTRKKYLS-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.10
Rot. Bonds3

About 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane

2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane (PubChem CID 155739562) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
PubChem CID155739562
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCC(C)CN1CCC2(CC1)CC(CF)C2
InChIInChI=1S/C13H24FN/c1-11(2)10-15-5-3-13(4-6-15)7-12(8-13)9-14/h11-12H,3-10H2,1-2H3
InChIKeyVEAXGQCTRKKYLS-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(1-Fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine
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4,4-Di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
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(3S)-3-ethyl-1-(2-fluoroethyl)piperidine
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(3R)-3-ethyl-1-(2-fluoroethyl)piperidine
CID 57639938
(3R)-1-(2,2-difluoroethyl)-3-ethylpiperidine
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(3R)-3-ethyl-1-(3-fluoropropyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane (CID 155739562) is 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane is CC(C)CN1CCC2(CC1)CC(CF)C2.
What is the InChIKey of 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The InChIKey is VEAXGQCTRKKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-11(2)10-15-5-3-13(4-6-15)7-12(8-13)9-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane has a molecular weight of 213.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 155739562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).