7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C11H17F4NO3 — CID 45283104

IUPAC7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCC(F)(F)C(F)F)OCCO2
InChIInChI=1S/C11H17F4NO3/c12-9(13)11(14,15)6-17-8-5-10(2-1-7(8)16)18-3-4-19-10/h7-9H,1-6,16H2
InChIKeyIRRSIYWGZYJPCS-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.53
Rot. Bonds4

About 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine

7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 45283104) has the molecular formula C11H17F4NO3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID45283104
Molecular FormulaC11H17F4NO3
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCC(F)(F)C(F)F)OCCO2
InChIInChI=1S/C11H17F4NO3/c12-9(13)11(14,15)6-17-8-5-10(2-1-7(8)16)18-3-4-19-10/h7-9H,1-6,16H2
InChIKeyIRRSIYWGZYJPCS-UHFFFAOYSA-N
XLogP1.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7R,8R)-7-((Tributylstannyl)methoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 146161539
7-(2,2,2-Trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 16793855
N-ethyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61755092
N-propyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61756904
N-methyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61757310
N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 66276526
7-(1,1,1-Trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 66276527
N-ethyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 66276733
N-methyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 66277603
7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004248
7-(2,2-Difluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004752
7-(2,2-difluoroethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82005055

Frequently Asked Questions

What is the IUPAC name of 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 45283104) is 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1OCC(F)(F)C(F)F)OCCO2.
What is the InChIKey of 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is IRRSIYWGZYJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO3/c12-9(13)11(14,15)6-17-8-5-10(2-1-7(8)16)18-3-4-19-10/h7-9H,1-6,16H2.
What are the key properties of 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 287.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,3,3-tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 45283104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).