N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine

C8H14F3NO — CID 155122210

IUPACN-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
SMILESCNCCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-3-2-6-4-7(5-6)13-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyMAULYKPGXCHNRC-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine

N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine (PubChem CID 155122210) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
PubChem CID155122210
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
SMILESCNCCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-3-2-6-4-7(5-6)13-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyMAULYKPGXCHNRC-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
The IUPAC name of N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine (CID 155122210) is N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine is CNCCC1CC(OC(F)(F)F)C1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
The InChIKey is MAULYKPGXCHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-3-2-6-4-7(5-6)13-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 155122210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).