4-[4-(trifluoromethyl)phenyl]aniline

C13H10F3N — CID 2782709

IUPAC4-[4-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8H,17H2
InChIKeyPDKIAMYXBRKPBW-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.95
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]aniline

4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 2782709) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID2782709
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name4-[4-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8H,17H2
InChIKeyPDKIAMYXBRKPBW-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.95
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 4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]aniline (CID 2782709) is 4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]aniline is Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is PDKIAMYXBRKPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8H,17H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]aniline?
4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 237.22 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 2782709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).