2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol

C12H16F3NO3 — CID 107481086

IUPAC2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
SMILESCC(O)c1ccc(N(CCO)CC(F)(F)F)cc1O
InChIInChI=1S/C12H16F3NO3/c1-8(18)10-3-2-9(6-11(10)19)16(4-5-17)7-12(13,14)15/h2-3,6,8,17-19H,4-5,7H2,1H3
InChIKeyBXKFUHITARSHPE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.81
Rot. Bonds5

About 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol

2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol (PubChem CID 107481086) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
PubChem CID107481086
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
SMILESCC(O)c1ccc(N(CCO)CC(F)(F)F)cc1O
InChIInChI=1S/C12H16F3NO3/c1-8(18)10-3-2-9(6-11(10)19)16(4-5-17)7-12(13,14)15/h2-3,6,8,17-19H,4-5,7H2,1H3
InChIKeyBXKFUHITARSHPE-UHFFFAOYSA-N
XLogP1.81
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
CID 107481059
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzonitrile
CID 107479609
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol (CID 107481086) is 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol is CC(O)c1ccc(N(CCO)CC(F)(F)F)cc1O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol?
The InChIKey is BXKFUHITARSHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-8(18)10-3-2-9(6-11(10)19)16(4-5-17)7-12(13,14)15/h2-3,6,8,17-19H,4-5,7H2,1H3.
What are the key properties of 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol?
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol has a molecular weight of 279.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol is sourced from PubChem (CID 107481086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).