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

C11H15F3N2 — CID 4962171

IUPAC1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H15F3N2/c1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14/h5-7H,3-4,15H2,1-2H3
InChIKeyUOPWWBBHXVCBHY-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.13
Rot. Bonds3

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

1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 4962171) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID4962171
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H15F3N2/c1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14/h5-7H,3-4,15H2,1-2H3
InChIKeyUOPWWBBHXVCBHY-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
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,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine (CID 4962171) is 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine is CCN(CC)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is UOPWWBBHXVCBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine?
1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 4962171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).