2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine

C10H19F2NO2 — CID 126845185

IUPAC2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
SMILESCC1(C)C(COCCOCCN)C1(F)F
InChIInChI=1S/C10H19F2NO2/c1-9(2)8(10(9,11)12)7-15-6-5-14-4-3-13/h8H,3-7,13H2,1-2H3
InChIKeyNVMIURANIKCTQG-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.27
Rot. Bonds7

About 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine

2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine (PubChem CID 126845185) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
PubChem CID126845185
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
SMILESCC1(C)C(COCCOCCN)C1(F)F
InChIInChI=1S/C10H19F2NO2/c1-9(2)8(10(9,11)12)7-15-6-5-14-4-3-13/h8H,3-7,13H2,1-2H3
InChIKeyNVMIURANIKCTQG-UHFFFAOYSA-N
XLogP1.27
TPSA44.48 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine (CID 126845185) is 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine is CC1(C)C(COCCOCCN)C1(F)F.
What is the InChIKey of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine?
The InChIKey is NVMIURANIKCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-9(2)8(10(9,11)12)7-15-6-5-14-4-3-13/h8H,3-7,13H2,1-2H3.
What are the key properties of 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine?
2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine has a molecular weight of 223.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine is sourced from PubChem (CID 126845185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).