[2-amino-3-(trifluoromethyl)phenyl] hypochlorite

C7H5ClF3NO — CID 91120927

IUPAC[2-amino-3-(trifluoromethyl)phenyl] hypochlorite
SMILESNc1c(OCl)cccc1C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-13-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKeyCMHZDPIUEUHFAL-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.82
Rot. Bonds1

About [2-amino-3-(trifluoromethyl)phenyl] hypochlorite

[2-amino-3-(trifluoromethyl)phenyl] hypochlorite (PubChem CID 91120927) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is [2-amino-3-(trifluoromethyl)phenyl] hypochlorite.

Molecular Properties

Compound Name[2-amino-3-(trifluoromethyl)phenyl] hypochlorite
PubChem CID91120927
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name[2-amino-3-(trifluoromethyl)phenyl] hypochlorite
SMILESNc1c(OCl)cccc1C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-13-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKeyCMHZDPIUEUHFAL-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.82
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-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174
2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083
4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
CID 141214402
2-nitro-6-(trifluoromethyl)aniline
CID 10703457
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
[2-amino-3-(trifluoromethyl)phenyl] thiocyanate
CID 86767824
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
2-amino-6-(trifluoromethyl)phenol
CID 22272746
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(trifluoromethyl)phenyl] hypochlorite?
The IUPAC name of [2-amino-3-(trifluoromethyl)phenyl] hypochlorite (CID 91120927) is [2-amino-3-(trifluoromethyl)phenyl] hypochlorite.
What is the SMILES notation for [2-amino-3-(trifluoromethyl)phenyl] hypochlorite?
The canonical SMILES for [2-amino-3-(trifluoromethyl)phenyl] hypochlorite is Nc1c(OCl)cccc1C(F)(F)F.
What is the InChIKey of [2-amino-3-(trifluoromethyl)phenyl] hypochlorite?
The InChIKey is CMHZDPIUEUHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-13-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2.
What are the key properties of [2-amino-3-(trifluoromethyl)phenyl] hypochlorite?
[2-amino-3-(trifluoromethyl)phenyl] hypochlorite has a molecular weight of 211.57 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(trifluoromethyl)phenyl] hypochlorite is sourced from PubChem (CID 91120927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).