1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C13H10F4N2 — CID 54935755

IUPAC1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2/c14-8-1-4-10(5-2-8)19-12-6-3-9(18)7-11(12)13(15,16)17/h1-7,19H,18H2
InChIKeyPYUMXGBNYKLWFW-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.17
Rot. Bonds2

About 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 54935755) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID54935755
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2/c14-8-1-4-10(5-2-8)19-12-6-3-9(18)7-11(12)13(15,16)17/h1-7,19H,18H2
InChIKeyPYUMXGBNYKLWFW-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.17
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 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 54935755) is 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Nc1ccc(Nc2ccc(F)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is PYUMXGBNYKLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c14-8-1-4-10(5-2-8)19-12-6-3-9(18)7-11(12)13(15,16)17/h1-7,19H,18H2.
What are the key properties of 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 270.23 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 54935755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).