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

C10H11F4NO2 — CID 82711475

IUPAC5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
SMILESCC(NOCC(F)(F)F)c1ccc(F)cc1O
InChIInChI=1S/C10H11F4NO2/c1-6(15-17-5-10(12,13)14)8-3-2-7(11)4-9(8)16/h2-4,6,15-16H,5H2,1H3
InChIKeyQEHNUPGQNVDPAA-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.68
Rot. Bonds4

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

5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol (PubChem CID 82711475) has the molecular formula C10H11F4NO2 and a molecular weight of 253.19 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
PubChem CID82711475
Molecular FormulaC10H11F4NO2
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Name5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
SMILESCC(NOCC(F)(F)F)c1ccc(F)cc1O
InChIInChI=1S/C10H11F4NO2/c1-6(15-17-5-10(12,13)14)8-3-2-7(11)4-9(8)16/h2-4,6,15-16H,5H2,1H3
InChIKeyQEHNUPGQNVDPAA-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
CID 82719895
4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82712637
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710749
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol (CID 82711475) is 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol is CC(NOCC(F)(F)F)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
The InChIKey is QEHNUPGQNVDPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2/c1-6(15-17-5-10(12,13)14)8-3-2-7(11)4-9(8)16/h2-4,6,15-16H,5H2,1H3.
What are the key properties of 5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol?
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol has a molecular weight of 253.19 g/mol, XLogP of 2.68, 4 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-trifluoroethoxyamino)ethyl]phenol is sourced from PubChem (CID 82711475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).