3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine

C14H10F6N2 — CID 87519172

IUPAC3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1N
InChIInChI=1S/C14H10F6N2/c15-13(16,17)9-4-2-1-3-7(9)8-5-6-10(21)12(22)11(8)14(18,19)20/h1-6H,21-22H2
InChIKeyZPSUIVIDQHHIFH-UHFFFAOYSA-N
MW320.24 g/mol
LogP4.56
Rot. Bonds1

About 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine

3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine (PubChem CID 87519172) has the molecular formula C14H10F6N2 and a molecular weight of 320.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
PubChem CID87519172
Molecular FormulaC14H10F6N2
Molecular Weight320.24 g/mol
Exact Mass320.07
IUPAC Name3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1N
InChIInChI=1S/C14H10F6N2/c15-13(16,17)9-4-2-1-3-7(9)8-5-6-10(21)12(22)11(8)14(18,19)20/h1-6H,21-22H2
InChIKeyZPSUIVIDQHHIFH-UHFFFAOYSA-N
XLogP4.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine (CID 87519172) is 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine is Nc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1N.
What is the InChIKey of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The InChIKey is ZPSUIVIDQHHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2/c15-13(16,17)9-4-2-1-3-7(9)8-5-6-10(21)12(22)11(8)14(18,19)20/h1-6H,21-22H2.
What are the key properties of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine?
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine has a molecular weight of 320.24 g/mol, XLogP of 4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 87519172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).