3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine

C13H22F3NO — CID 66351399

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCC(OC1CC(N)C12CCCCCC2)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-9(13(14,15)16)18-11-8-10(17)12(11)6-4-2-3-5-7-12/h9-11H,2-8,17H2,1H3
InChIKeyOGQNTTDHSHHOQE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.39
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine

3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine (PubChem CID 66351399) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
PubChem CID66351399
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCC(OC1CC(N)C12CCCCCC2)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-9(13(14,15)16)18-11-8-10(17)12(11)6-4-2-3-5-7-12/h9-11H,2-8,17H2,1H3
InChIKeyOGQNTTDHSHHOQE-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine (CID 66351399) is 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine is CC(OC1CC(N)C12CCCCCC2)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The InChIKey is OGQNTTDHSHHOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9(13(14,15)16)18-11-8-10(17)12(11)6-4-2-3-5-7-12/h9-11H,2-8,17H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66351399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).