N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine

C10H19F2NO2 — CID 102978115

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCCOCC(F)F)C1CCOC1
InChIInChI=1S/C10H19F2NO2/c1-8(9-2-4-14-6-9)13-3-5-15-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyQPFDFUVRXWCIID-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.28
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine

N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 102978115) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID102978115
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCCOCC(F)F)C1CCOC1
InChIInChI=1S/C10H19F2NO2/c1-8(9-2-4-14-6-9)13-3-5-15-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyQPFDFUVRXWCIID-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.28
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 N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine (CID 102978115) is N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine is CC(NCCOCC(F)F)C1CCOC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is QPFDFUVRXWCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-8(9-2-4-14-6-9)13-3-5-15-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 223.26 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102978115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).