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

C12H20F3NO2 — CID 79119915

IUPACN-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO2/c1-16(7-6-12(13,14)15)10-2-4-11(5-3-10)17-8-9-18-11/h10H,2-9H2,1H3
InChIKeyPHODDYKTPARRHM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.56
Rot. Bonds3

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

N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79119915) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79119915
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO2/c1-16(7-6-12(13,14)15)10-2-4-11(5-3-10)17-8-9-18-11/h10H,2-9H2,1H3
InChIKeyPHODDYKTPARRHM-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 79119915) is N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is CN(CCC(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is PHODDYKTPARRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-16(7-6-12(13,14)15)10-2-4-11(5-3-10)17-8-9-18-11/h10H,2-9H2,1H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).