4-phenyl-3-(trifluoromethyl)aniline

C13H10F3N — CID 16768764

IUPAC4-phenyl-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N/c14-13(15,16)12-8-10(17)6-7-11(12)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeyZGPGXANZLDHGQA-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.95
Rot. Bonds1

About 4-phenyl-3-(trifluoromethyl)aniline

4-phenyl-3-(trifluoromethyl)aniline (PubChem CID 16768764) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-phenyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-phenyl-3-(trifluoromethyl)aniline
PubChem CID16768764
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name4-phenyl-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N/c14-13(15,16)12-8-10(17)6-7-11(12)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeyZGPGXANZLDHGQA-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-phenyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-phenyl-3-(trifluoromethyl)aniline (CID 16768764) is 4-phenyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-phenyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-phenyl-3-(trifluoromethyl)aniline is Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-phenyl-3-(trifluoromethyl)aniline?
The InChIKey is ZGPGXANZLDHGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-13(15,16)12-8-10(17)6-7-11(12)9-4-2-1-3-5-9/h1-8H,17H2.
What are the key properties of 4-phenyl-3-(trifluoromethyl)aniline?
4-phenyl-3-(trifluoromethyl)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-phenyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 16768764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).