N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine

C12H20F3NO — CID 66351184

IUPACN-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C12CCCC2
InChIInChI=1S/C12H20F3NO/c1-8(12(13,14)15)17-10-7-9(16-2)11(10)5-3-4-6-11/h8-10,16H,3-7H2,1-2H3
InChIKeyUPDKMKXCIABLEK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine

N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine (PubChem CID 66351184) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
PubChem CID66351184
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C12CCCC2
InChIInChI=1S/C12H20F3NO/c1-8(12(13,14)15)17-10-7-9(16-2)11(10)5-3-4-6-11/h8-10,16H,3-7H2,1-2H3
InChIKeyUPDKMKXCIABLEK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine (CID 66351184) is N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine is CNC1CC(OC(C)C(F)(F)F)C12CCCC2.
What is the InChIKey of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The InChIKey is UPDKMKXCIABLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-8(12(13,14)15)17-10-7-9(16-2)11(10)5-3-4-6-11/h8-10,16H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66351184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).