3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide

C13H23FN2O — CID 134861867

IUPAC3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CC2(CCCCC2)CC1CF
InChIInChI=1S/C13H23FN2O/c1-15(2)12(17)16-10-13(8-11(16)9-14)6-4-3-5-7-13/h11H,3-10H2,1-2H3
InChIKeyITQJBVUCSKINLM-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.66
Rot. Bonds1

About 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide

3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 134861867) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID134861867
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CC2(CCCCC2)CC1CF
InChIInChI=1S/C13H23FN2O/c1-15(2)12(17)16-10-13(8-11(16)9-14)6-4-3-5-7-13/h11H,3-10H2,1-2H3
InChIKeyITQJBVUCSKINLM-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide (CID 134861867) is 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)N1CC2(CCCCC2)CC1CF.
What is the InChIKey of 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is ITQJBVUCSKINLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-15(2)12(17)16-10-13(8-11(16)9-14)6-4-3-5-7-13/h11H,3-10H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide?
3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 134861867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).