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

C11H18F3NO3 — CID 82955210

IUPAC7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCCC(F)(F)F)OCCO2
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)3-4-16-9-7-10(2-1-8(9)15)17-5-6-18-10/h8-9H,1-7,15H2
InChIKeyMZCDYNLJCWGJRV-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.58
Rot. Bonds3

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

7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82955210) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82955210
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCCC(F)(F)F)OCCO2
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)3-4-16-9-7-10(2-1-8(9)15)17-5-6-18-10/h8-9H,1-7,15H2
InChIKeyMZCDYNLJCWGJRV-UHFFFAOYSA-N
XLogP1.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 82955210) is 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1OCCC(F)(F)F)OCCO2.
What is the InChIKey of 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MZCDYNLJCWGJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)3-4-16-9-7-10(2-1-8(9)15)17-5-6-18-10/h8-9H,1-7,15H2.
What are the key properties of 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 269.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82955210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).