2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol

C12H16F3NO2 — CID 114127447

IUPAC2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNCCOCC(F)F)c1ccccc1F
InChIInChI=1S/C12H16F3NO2/c13-10-4-2-1-3-9(10)11(17)7-16-5-6-18-8-12(14)15/h1-4,11-12,16-17H,5-8H2
InChIKeyXKICJSFFWOYREE-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.73
Rot. Bonds8

About 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol

2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 114127447) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
PubChem CID114127447
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNCCOCC(F)F)c1ccccc1F
InChIInChI=1S/C12H16F3NO2/c13-10-4-2-1-3-9(10)11(17)7-16-5-6-18-8-12(14)15/h1-4,11-12,16-17H,5-8H2
InChIKeyXKICJSFFWOYREE-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187759
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2-fluorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)ethanol
CID 106428715
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 60743964
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 114127458
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol (CID 114127447) is 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol is OC(CNCCOCC(F)F)c1ccccc1F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is XKICJSFFWOYREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-10-4-2-1-3-9(10)11(17)7-16-5-6-18-8-12(14)15/h1-4,11-12,16-17H,5-8H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol?
2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 263.26 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 114127447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).