2-(2,2,2-trifluoroethoxy)aniline;hydrochloride

C8H9ClF3NO — CID 21272058

IUPAC2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
SMILESCl.Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)5-13-7-4-2-1-3-6(7)12;/h1-4H,5,12H2;1H
InChIKeySMAVGXUASJZYJD-UHFFFAOYSA-N
MW227.61 g/mol
LogP2.63
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride

2-(2,2,2-trifluoroethoxy)aniline;hydrochloride (PubChem CID 21272058) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
PubChem CID21272058
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
SMILESCl.Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)5-13-7-4-2-1-3-6(7)12;/h1-4H,5,12H2;1H
InChIKeySMAVGXUASJZYJD-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,3,3,4,4-hexafluorobutoxy)aniline
CID 97178880
2,2,2-trifluoroethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106705762
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972
2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
CID 113393427
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
(2-aminophenoxy)methanol
CID 22976615
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride (CID 21272058) is 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride is Cl.Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride?
The InChIKey is SMAVGXUASJZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-8(10,11)5-13-7-4-2-1-3-6(7)12;/h1-4H,5,12H2;1H.
What are the key properties of 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride?
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride has a molecular weight of 227.61 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)aniline;hydrochloride is sourced from PubChem (CID 21272058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).