2-(trifluoromethoxy)aniline;dihydrochloride

C7H8Cl2F3NO — CID 69022411

IUPAC2-(trifluoromethoxy)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO.2ClH/c8-7(9,10)12-6-4-2-1-3-5(6)11;;/h1-4H,11H2;2*1H
InChIKeyYZTISHACMVXFDM-UHFFFAOYSA-N
MW250.05 g/mol
LogP3.01
Rot. Bonds1

About 2-(trifluoromethoxy)aniline;dihydrochloride

2-(trifluoromethoxy)aniline;dihydrochloride (PubChem CID 69022411) has the molecular formula C7H8Cl2F3NO and a molecular weight of 250.05 g/mol. Its IUPAC name is 2-(trifluoromethoxy)aniline;dihydrochloride.

Molecular Properties

Compound Name2-(trifluoromethoxy)aniline;dihydrochloride
PubChem CID69022411
Molecular FormulaC7H8Cl2F3NO
Molecular Weight250.05 g/mol
Exact Mass248.99
IUPAC Name2-(trifluoromethoxy)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO.2ClH/c8-7(9,10)12-6-4-2-1-3-5(6)11;;/h1-4H,11H2;2*1H
InChIKeyYZTISHACMVXFDM-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 53.01
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-bromo-1,1,2,2-tetrafluoroethoxy)aniline
CID 87396327
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
CID 162421871
2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
CID 139854943
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-(trifluoromethoxy)benzenethiolate
CID 6933712

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)aniline;dihydrochloride?
The IUPAC name of 2-(trifluoromethoxy)aniline;dihydrochloride (CID 69022411) is 2-(trifluoromethoxy)aniline;dihydrochloride.
What is the SMILES notation for 2-(trifluoromethoxy)aniline;dihydrochloride?
The canonical SMILES for 2-(trifluoromethoxy)aniline;dihydrochloride is Cl.Cl.Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)aniline;dihydrochloride?
The InChIKey is YZTISHACMVXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.2ClH/c8-7(9,10)12-6-4-2-1-3-5(6)11;;/h1-4H,11H2;2*1H.
What are the key properties of 2-(trifluoromethoxy)aniline;dihydrochloride?
2-(trifluoromethoxy)aniline;dihydrochloride has a molecular weight of 250.05 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)aniline;dihydrochloride is sourced from PubChem (CID 69022411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).