2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride

C8H16ClF2NO2 — CID 126845182

IUPAC2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride
SMILESCl.NCCOCCOCC1CC1(F)F
InChIInChI=1S/C8H15F2NO2.ClH/c9-8(10)5-7(8)6-13-4-3-12-2-1-11;/h7H,1-6,11H2;1H
InChIKeyGDFLGSNCOYSBHP-UHFFFAOYSA-N
MW231.67 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride

2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride (PubChem CID 126845182) has the molecular formula C8H16ClF2NO2 and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride
PubChem CID126845182
Molecular FormulaC8H16ClF2NO2
Molecular Weight231.67 g/mol
Exact Mass231.08
IUPAC Name2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride
SMILESCl.NCCOCCOCC1CC1(F)F
InChIInChI=1S/C8H15F2NO2.ClH/c9-8(10)5-7(8)6-13-4-3-12-2-1-11;/h7H,1-6,11H2;1H
InChIKeyGDFLGSNCOYSBHP-UHFFFAOYSA-N
XLogP1.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 51.06
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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Related Compounds

2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
CID 126845185
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2,2-difluorocyclopropyl)oxyethanamine
CID 121207600
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
CID 164887540
2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine
CID 123846401
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
CID 129015327
2-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303
2-[(3-methylcyclobutyl)methoxy]ethanamine
CID 119054984
2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
CID 118166069

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride (CID 126845182) is 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride is Cl.NCCOCCOCC1CC1(F)F.
What is the InChIKey of 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride?
The InChIKey is GDFLGSNCOYSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2.ClH/c9-8(10)5-7(8)6-13-4-3-12-2-1-11;/h7H,1-6,11H2;1H.
What are the key properties of 2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride?
2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride has a molecular weight of 231.67 g/mol, XLogP of 1.06, 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-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride is sourced from PubChem (CID 126845182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).