N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C12H20F3NO3 — CID 82954461

IUPACN-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1OCCC(F)(F)F)OCCO2
InChIInChI=1S/C12H20F3NO3/c1-16-9-2-3-11(18-6-7-19-11)8-10(9)17-5-4-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyCTAQVECDSKNXOV-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82954461) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82954461
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1OCCC(F)(F)F)OCCO2
InChIInChI=1S/C12H20F3NO3/c1-16-9-2-3-11(18-6-7-19-11)8-10(9)17-5-4-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyCTAQVECDSKNXOV-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 82954461) is N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1OCCC(F)(F)F)OCCO2.
What is the InChIKey of N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is CTAQVECDSKNXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-16-9-2-3-11(18-6-7-19-11)8-10(9)17-5-4-12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 283.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82954461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).