2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate

C10H11ClF3NO3 — CID 68519971

IUPAC2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO.C2HF3O2/c9-7-5-6(3-4-10)1-2-8(7)11;3-2(4,5)1(6)7/h1-2,5,11H,3-4,10H2;(H,6,7)
InChIKeyIZHVGRXNQFKFPM-UHFFFAOYSA-N
MW285.65 g/mol
LogP0.13
Rot. Bonds2

About 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate

2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate (PubChem CID 68519971) has the molecular formula C10H11ClF3NO3 and a molecular weight of 285.65 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate
PubChem CID68519971
Molecular FormulaC10H11ClF3NO3
Molecular Weight285.65 g/mol
Exact Mass285.04
IUPAC Name2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO.C2HF3O2/c9-7-5-6(3-4-10)1-2-8(7)11;3-2(4,5)1(6)7/h1-2,5,11H,3-4,10H2;(H,6,7)
InChIKeyIZHVGRXNQFKFPM-UHFFFAOYSA-N
XLogP0.13
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
1-(3-chloro-4-hydroxyphenyl)pentan-3-one
CID 154645816
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
2-chloro-4-[2-(ethylamino)ethyl]phenol
CID 64868775
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
CID 100965495
[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
CID 91405796
sodium 5-[2-(3,4-dichlorophenyl)ethylamino]-2-hydroxybenzoate
CID 142689385
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-chloro-4-(nitrosomethyl)phenol
CID 123274158
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate (CID 68519971) is 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]CCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate?
The InChIKey is IZHVGRXNQFKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.C2HF3O2/c9-7-5-6(3-4-10)1-2-8(7)11;3-2(4,5)1(6)7/h1-2,5,11H,3-4,10H2;(H,6,7).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate?
2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate has a molecular weight of 285.65 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 68519971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).