2-chloro-6-(trifluoromethyl)aniline

C7H5ClF3N — CID 2756384

IUPAC2-chloro-6-(trifluoromethyl)aniline
SMILESNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKeyOTRRSPQJZRCMDA-UHFFFAOYSA-N
MW195.57 g/mol
LogP2.94
Rot. Bonds

About 2-chloro-6-(trifluoromethyl)aniline

2-chloro-6-(trifluoromethyl)aniline (PubChem CID 2756384) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)aniline
PubChem CID2756384
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC Name2-chloro-6-(trifluoromethyl)aniline
SMILESNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKeyOTRRSPQJZRCMDA-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 2-chloro-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-6-(trifluoromethyl)aniline (CID 2756384) is 2-chloro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)aniline is Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)aniline?
The InChIKey is OTRRSPQJZRCMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2.
What are the key properties of 2-chloro-6-(trifluoromethyl)aniline?
2-chloro-6-(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 2-chloro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 2756384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).