4-chloro-2-(trifluoromethoxy)aniline

C7H5ClF3NO — CID 2781526

IUPAC4-chloro-2-(trifluoromethoxy)aniline
SMILESNc1ccc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2
InChIKeyUCFTYLMKCJPWBX-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.82
Rot. Bonds1

About 4-chloro-2-(trifluoromethoxy)aniline

4-chloro-2-(trifluoromethoxy)aniline (PubChem CID 2781526) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethoxy)aniline
PubChem CID2781526
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-chloro-2-(trifluoromethoxy)aniline
SMILESNc1ccc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2
InChIKeyUCFTYLMKCJPWBX-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethoxy)aniline?
The IUPAC name of 4-chloro-2-(trifluoromethoxy)aniline (CID 2781526) is 4-chloro-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-chloro-2-(trifluoromethoxy)aniline?
The canonical SMILES for 4-chloro-2-(trifluoromethoxy)aniline is Nc1ccc(Cl)cc1OC(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethoxy)aniline?
The InChIKey is UCFTYLMKCJPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2.
What are the key properties of 4-chloro-2-(trifluoromethoxy)aniline?
4-chloro-2-(trifluoromethoxy)aniline 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 4-chloro-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 2781526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).