3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine

C12H20F3NO — CID 66350744

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
SMILESCC(OC1CC(N)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-8(12(13,14)15)17-10-7-9(16)11(10)5-3-2-4-6-11/h8-10H,2-7,16H2,1H3
InChIKeyRARQBYYTVGHLFX-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.00
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine

3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine (PubChem CID 66350744) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
PubChem CID66350744
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
SMILESCC(OC1CC(N)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-8(12(13,14)15)17-10-7-9(16)11(10)5-3-2-4-6-11/h8-10H,2-7,16H2,1H3
InChIKeyRARQBYYTVGHLFX-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.00
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[3.5]nonan-1-amine?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine (CID 66350744) is 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine is CC(OC1CC(N)C12CCCCC2)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
The InChIKey is RARQBYYTVGHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-8(12(13,14)15)17-10-7-9(16)11(10)5-3-2-4-6-11/h8-10H,2-7,16H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 3.00, 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[3.5]nonan-1-amine is sourced from PubChem (CID 66350744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).