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

C7H7F3N2 — CID 520822

IUPAC4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKeyRQWJHUJJBYMJMN-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.87
Rot. Bonds

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

4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 520822) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID520822
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKeyRQWJHUJJBYMJMN-UHFFFAOYSA-N
XLogP1.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.87
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 4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 4-(trifluoromethyl)benzene-1,2-diamine (CID 520822) is 4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 4-(trifluoromethyl)benzene-1,2-diamine is Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is RQWJHUJJBYMJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2.
What are the key properties of 4-(trifluoromethyl)benzene-1,2-diamine?
4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 176.14 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 520822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).