2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol

C9H9ClF3NO2 — CID 84708628

IUPAC2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
SMILESNCC(O)c1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C9H9ClF3NO2/c10-4-1-5(7(15)3-14)8(16)6(2-4)9(11,12)13/h1-2,7,15-16H,3,14H2
InChIKeyWVPXGZDFTTVGHO-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol

2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol (PubChem CID 84708628) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
PubChem CID84708628
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
SMILESNCC(O)c1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C9H9ClF3NO2/c10-4-1-5(7(15)3-14)8(16)6(2-4)9(11,12)13/h1-2,7,15-16H,3,14H2
InChIKeyWVPXGZDFTTVGHO-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023
3-amino-3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117455854
2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386940
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-(trifluoromethyl)phenol
CID 117448625
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
CID 117353847
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol
CID 84692297
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
CID 117351397

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol (CID 84708628) is 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol is NCC(O)c1cc(Cl)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol?
The InChIKey is WVPXGZDFTTVGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c10-4-1-5(7(15)3-14)8(16)6(2-4)9(11,12)13/h1-2,7,15-16H,3,14H2.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol?
2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol has a molecular weight of 255.62 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol is sourced from PubChem (CID 84708628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).