7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine

C13H23F2NO3 — CID 82005055

IUPAC7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C13H23F2NO3/c1-2-5-16-10-3-4-13(18-6-7-19-13)8-11(10)17-9-12(14)15/h10-12,16H,2-9H2,1H3
InChIKeyUZNVBNMOIOZUIC-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.93
Rot. Bonds6

About 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82005055) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82005055
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Name7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C13H23F2NO3/c1-2-5-16-10-3-4-13(18-6-7-19-13)8-11(10)17-9-12(14)15/h10-12,16H,2-9H2,1H3
InChIKeyUZNVBNMOIOZUIC-UHFFFAOYSA-N
XLogP1.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 82005055) is 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1OCC(F)F)OCCO2.
What is the InChIKey of 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UZNVBNMOIOZUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c1-2-5-16-10-3-4-13(18-6-7-19-13)8-11(10)17-9-12(14)15/h10-12,16H,2-9H2,1H3.
What are the key properties of 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 279.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82005055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).