2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine

C16H18F2N2 — CID 63734623

IUPAC2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine
SMILESCCCc1ccccc1Nc1ccc(N)cc1C(F)F
InChIInChI=1S/C16H18F2N2/c1-2-5-11-6-3-4-7-14(11)20-15-9-8-12(19)10-13(15)16(17)18/h3-4,6-10,16,20H,2,5,19H2,1H3
InChIKeyJJJOODYJYMUBCT-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.90
Rot. Bonds5

About 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine (PubChem CID 63734623) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine
PubChem CID63734623
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine
SMILESCCCc1ccccc1Nc1ccc(N)cc1C(F)F
InChIInChI=1S/C16H18F2N2/c1-2-5-11-6-3-4-7-14(11)20-15-9-8-12(19)10-13(15)16(17)18/h3-4,6-10,16,20H,2,5,19H2,1H3
InChIKeyJJJOODYJYMUBCT-UHFFFAOYSA-N
XLogP4.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.90
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 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine (CID 63734623) is 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine is CCCc1ccccc1Nc1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine?
The InChIKey is JJJOODYJYMUBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-5-11-6-3-4-7-14(11)20-15-9-8-12(19)10-13(15)16(17)18/h3-4,6-10,16,20H,2,5,19H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine has a molecular weight of 276.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 63734623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).