2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine

C9H17F2NO2 — CID 82008957

IUPAC2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESFC(F)COCCNCC1CCOC1
InChIInChI=1S/C9H17F2NO2/c10-9(11)7-14-4-2-12-5-8-1-3-13-6-8/h8-9,12H,1-7H2
InChIKeyILSDQNXKLVOTDC-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.89
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 82008957) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID82008957
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESFC(F)COCCNCC1CCOC1
InChIInChI=1S/C9H17F2NO2/c10-9(11)7-14-4-2-12-5-8-1-3-13-6-8/h8-9,12H,1-7H2
InChIKeyILSDQNXKLVOTDC-UHFFFAOYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 82008957) is 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine is FC(F)COCCNCC1CCOC1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is ILSDQNXKLVOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c10-9(11)7-14-4-2-12-5-8-1-3-13-6-8/h8-9,12H,1-7H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 209.24 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 82008957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).