2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine

C10H19F2NO — CID 103274350

IUPAC2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(OCC(F)F)CCC1
InChIInChI=1S/C10H19F2NO/c1-2-13-7-6-10(4-3-5-10)14-8-9(11)12/h9,13H,2-8H2,1H3
InChIKeyWWTUABIJBSWGSA-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds7

About 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine

2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine (PubChem CID 103274350) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine
PubChem CID103274350
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(OCC(F)F)CCC1
InChIInChI=1S/C10H19F2NO/c1-2-13-7-6-10(4-3-5-10)14-8-9(11)12/h9,13H,2-8H2,1H3
InChIKeyWWTUABIJBSWGSA-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine (CID 103274350) is 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine is CCNCCC1(OCC(F)F)CCC1.
What is the InChIKey of 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine?
The InChIKey is WWTUABIJBSWGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-13-7-6-10(4-3-5-10)14-8-9(11)12/h9,13H,2-8H2,1H3.
What are the key properties of 2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine?
2-[1-(2,2-difluoroethoxy)cyclobutyl]-N-ethylethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 7 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]-N-ethylethanamine is sourced from PubChem (CID 103274350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).