5-chloro-2-[3-(trifluoromethyl)phenyl]aniline

C13H9ClF3N — CID 79018103

IUPAC5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3N/c14-10-4-5-11(12(18)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H,18H2
InChIKeyFBBHZDTYDMNPTE-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.61
Rot. Bonds1

About 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline

5-chloro-2-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 79018103) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
PubChem CID79018103
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3N/c14-10-4-5-11(12(18)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H,18H2
InChIKeyFBBHZDTYDMNPTE-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.61
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 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline (CID 79018103) is 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline is Nc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is FBBHZDTYDMNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-10-4-5-11(12(18)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H,18H2.
What are the key properties of 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline?
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 271.67 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 79018103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).