3-chloro-5-(trifluoromethyl)aniline

C7H5ClF3N — CID 3017933

IUPAC3-chloro-5-(trifluoromethyl)aniline
SMILESNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKeyOVENUGPMQDFGLE-UHFFFAOYSA-N
MW195.57 g/mol
LogP2.94
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)aniline

3-chloro-5-(trifluoromethyl)aniline (PubChem CID 3017933) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)aniline
PubChem CID3017933
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC Name3-chloro-5-(trifluoromethyl)aniline
SMILESNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKeyOVENUGPMQDFGLE-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-5-(trifluoromethyl)aniline (CID 3017933) is 3-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)aniline is Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)aniline?
The InChIKey is OVENUGPMQDFGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)aniline?
3-chloro-5-(trifluoromethyl)aniline has a molecular weight of 195.57 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 3017933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).