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

C10H17F2NO3 — CID 82004752

IUPAC7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C10H17F2NO3/c11-9(12)6-14-8-5-10(2-1-7(8)13)15-3-4-16-10/h7-9H,1-6,13H2
InChIKeySHTLERWXMFMOBP-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.89
Rot. Bonds3

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

7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82004752) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82004752
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C10H17F2NO3/c11-9(12)6-14-8-5-10(2-1-7(8)13)15-3-4-16-10/h7-9H,1-6,13H2
InChIKeySHTLERWXMFMOBP-UHFFFAOYSA-N
XLogP0.89
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.89
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)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 82004752) is 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1OCC(F)F)OCCO2.
What is the InChIKey of 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is SHTLERWXMFMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-9(12)6-14-8-5-10(2-1-7(8)13)15-3-4-16-10/h7-9H,1-6,13H2.
What are the key properties of 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 237.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82004752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).