5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol

C12H15F4NO2 — CID 63828726

IUPAC5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
SMILESCC(NCCOCC(F)(F)F)c1ccc(F)cc1O
InChIInChI=1S/C12H15F4NO2/c1-8(10-3-2-9(13)6-11(10)18)17-4-5-19-7-12(14,15)16/h2-3,6,8,17-18H,4-5,7H2,1H3
InChIKeyNHXVKFZEZTVEFL-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.76
Rot. Bonds6

About 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol

5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol (PubChem CID 63828726) has the molecular formula C12H15F4NO2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
PubChem CID63828726
Molecular FormulaC12H15F4NO2
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
SMILESCC(NCCOCC(F)(F)F)c1ccc(F)cc1O
InChIInChI=1S/C12H15F4NO2/c1-8(10-3-2-9(13)6-11(10)18)17-4-5-19-7-12(14,15)16/h2-3,6,8,17-18H,4-5,7H2,1H3
InChIKeyNHXVKFZEZTVEFL-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
4-methoxy-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63827299
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
1-(4-chloro-3-fluorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 82994637
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 104582209
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol (CID 63828726) is 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol is CC(NCCOCC(F)(F)F)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol?
The InChIKey is NHXVKFZEZTVEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO2/c1-8(10-3-2-9(13)6-11(10)18)17-4-5-19-7-12(14,15)16/h2-3,6,8,17-18H,4-5,7H2,1H3.
What are the key properties of 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol?
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol has a molecular weight of 281.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol is sourced from PubChem (CID 63828726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).