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

C12H21F2NO3 — CID 82004248

IUPAC7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C12H21F2NO3/c1-2-15-9-3-4-12(17-5-6-18-12)7-10(9)16-8-11(13)14/h9-11,15H,2-8H2,1H3
InChIKeyGZVKHVNGWAFWAO-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.54
Rot. Bonds5

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

7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82004248) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82004248
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C12H21F2NO3/c1-2-15-9-3-4-12(17-5-6-18-12)7-10(9)16-8-11(13)14/h9-11,15H,2-8H2,1H3
InChIKeyGZVKHVNGWAFWAO-UHFFFAOYSA-N
XLogP1.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
CID 82004456
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 82003841
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
N-ethyl-7-(2-methoxyethylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64612372
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
3-[[8-(ethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-2-ol
CID 107772699
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 115559480
N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83219193
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64628559
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66231563

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 82004248) is 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1OCC(F)F)OCCO2.
What is the InChIKey of 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GZVKHVNGWAFWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-2-15-9-3-4-12(17-5-6-18-12)7-10(9)16-8-11(13)14/h9-11,15H,2-8H2,1H3.
What are the key properties of 7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 265.30 g/mol, XLogP of 1.54, 5 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-ethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82004248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).