1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol

C10H10F5NO2 — CID 82723098

IUPAC1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
SMILESOC(CNOCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C10H10F5NO2/c11-6-2-1-3-7(12)9(6)8(17)4-16-18-5-10(13,14)15/h1-3,8,16-17H,4-5H2
InChIKeySMHOHQUPMXXLJD-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol

1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol (PubChem CID 82723098) has the molecular formula C10H10F5NO2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
PubChem CID82723098
Molecular FormulaC10H10F5NO2
Molecular Weight271.19 g/mol
Exact Mass271.06
IUPAC Name1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
SMILESOC(CNOCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C10H10F5NO2/c11-6-2-1-3-7(12)9(6)8(17)4-16-18-5-10(13,14)15/h1-3,8,16-17H,4-5H2
InChIKeySMHOHQUPMXXLJD-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82722510
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711123
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-(2-bromo-3-fluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722991
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
1-(1,3-benzodioxol-5-yl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82721409
(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol
CID 82722135
1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
CID 115609626
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol (CID 82723098) is 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol is OC(CNOCC(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
The InChIKey is SMHOHQUPMXXLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO2/c11-6-2-1-3-7(12)9(6)8(17)4-16-18-5-10(13,14)15/h1-3,8,16-17H,4-5H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol has a molecular weight of 271.19 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol is sourced from PubChem (CID 82723098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).