2-(1,1-difluorobutoxymethyl)-1-ethylazetidine

C10H19F2NO — CID 162762242

IUPAC2-(1,1-difluorobutoxymethyl)-1-ethylazetidine
SMILESCCCC(F)(F)OCC1CCN1CC
InChIInChI=1S/C10H19F2NO/c1-3-6-10(11,12)14-8-9-5-7-13(9)4-2/h9H,3-8H2,1-2H3
InChIKeyFWFHQCNLLWQDCO-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.49
Rot. Bonds6

About 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine

2-(1,1-difluorobutoxymethyl)-1-ethylazetidine (PubChem CID 162762242) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine.

Molecular Properties

Compound Name2-(1,1-difluorobutoxymethyl)-1-ethylazetidine
PubChem CID162762242
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-(1,1-difluorobutoxymethyl)-1-ethylazetidine
SMILESCCCC(F)(F)OCC1CCN1CC
InChIInChI=1S/C10H19F2NO/c1-3-6-10(11,12)14-8-9-5-7-13(9)4-2/h9H,3-8H2,1-2H3
InChIKeyFWFHQCNLLWQDCO-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine?
The IUPAC name of 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine (CID 162762242) is 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine.
What is the SMILES notation for 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine?
The canonical SMILES for 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine is CCCC(F)(F)OCC1CCN1CC.
What is the InChIKey of 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine?
The InChIKey is FWFHQCNLLWQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-6-10(11,12)14-8-9-5-7-13(9)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine?
2-(1,1-difluorobutoxymethyl)-1-ethylazetidine has a molecular weight of 207.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluorobutoxymethyl)-1-ethylazetidine is sourced from PubChem (CID 162762242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).