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

C11H18F3NO2 — CID 63226092

IUPACN-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-6-15-9-1-3-10(4-2-9)16-7-8-17-10/h9,15H,1-8H2
InChIKeyOHPKPUMZJZNVGP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 63226092) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID63226092
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-6-15-9-1-3-10(4-2-9)16-7-8-17-10/h9,15H,1-8H2
InChIKeyOHPKPUMZJZNVGP-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 63226092) is N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)CCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OHPKPUMZJZNVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)5-6-15-9-1-3-10(4-2-9)16-7-8-17-10/h9,15H,1-8H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 253.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 63226092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).