3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

C15H27F2NO2 — CID 103149165

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27F2NO2/c1-18-13(5-8-19-11-14(16)17)12-4-9-20-15(10-12)6-2-3-7-15/h12-14,18H,2-11H2,1H3
InChIKeyUPCKXEVRCOUGJH-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.99
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 103149165) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID103149165
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27F2NO2/c1-18-13(5-8-19-11-14(16)17)12-4-9-20-15(10-12)6-2-3-7-15/h12-14,18H,2-11H2,1H3
InChIKeyUPCKXEVRCOUGJH-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 103149165) is 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is CNC(CCOCC(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is UPCKXEVRCOUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-18-13(5-8-19-11-14(16)17)12-4-9-20-15(10-12)6-2-3-7-15/h12-14,18H,2-11H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 103149165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).