2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine

C8H15F2NO — CID 103274347

IUPAC2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine
SMILESNCCC1(OCC(F)F)CCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)6-12-8(4-5-11)2-1-3-8/h7H,1-6,11H2
InChIKeyDYOAHQXZBTYCCF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.54
Rot. Bonds5

About 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine

2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine (PubChem CID 103274347) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine
PubChem CID103274347
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine
SMILESNCCC1(OCC(F)F)CCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)6-12-8(4-5-11)2-1-3-8/h7H,1-6,11H2
InChIKeyDYOAHQXZBTYCCF-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine (CID 103274347) is 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine is NCCC1(OCC(F)F)CCC1.
What is the InChIKey of 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine?
The InChIKey is DYOAHQXZBTYCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-7(10)6-12-8(4-5-11)2-1-3-8/h7H,1-6,11H2.
What are the key properties of 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine?
2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103274347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).