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

C11H18F3NO — CID 66357362

IUPACN-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C12CCCC2
InChIInChI=1S/C11H18F3NO/c1-15-8-6-9(16-7-11(12,13)14)10(8)4-2-3-5-10/h8-9,15H,2-7H2,1H3
InChIKeyOCMRIKYZFNEXIY-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.49
Rot. Bonds3

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

N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine (PubChem CID 66357362) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine
PubChem CID66357362
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C12CCCC2
InChIInChI=1S/C11H18F3NO/c1-15-8-6-9(16-7-11(12,13)14)10(8)4-2-3-5-10/h8-9,15H,2-7H2,1H3
InChIKeyOCMRIKYZFNEXIY-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine (CID 66357362) is N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine is CNC1CC(OCC(F)(F)F)C12CCCC2.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine?
The InChIKey is OCMRIKYZFNEXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-15-8-6-9(16-7-11(12,13)14)10(8)4-2-3-5-10/h8-9,15H,2-7H2,1H3.
What are the key properties of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine?
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66357362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).