7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine

C11H18F3NO3 — CID 66276527

IUPAC7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(OC1CC2(CCC1N)OCCO2)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-7(11(12,13)14)18-9-6-10(3-2-8(9)15)16-4-5-17-10/h7-9H,2-6,15H2,1H3
InChIKeyUFCCBVMLSPLSKV-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.58
Rot. Bonds2

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

7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 66276527) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID66276527
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(OC1CC2(CCC1N)OCCO2)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-7(11(12,13)14)18-9-6-10(3-2-8(9)15)16-4-5-17-10/h7-9H,2-6,15H2,1H3
InChIKeyUFCCBVMLSPLSKV-UHFFFAOYSA-N
XLogP1.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 66276527) is 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine is CC(OC1CC2(CCC1N)OCCO2)C(F)(F)F.
What is the InChIKey of 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UFCCBVMLSPLSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-7(11(12,13)14)18-9-6-10(3-2-8(9)15)16-4-5-17-10/h7-9H,2-6,15H2,1H3.
What are the key properties of 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 269.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 66276527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).