(2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride

C21H24ClF4NO2 — CID 18434245

IUPAC(2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride
SMILESCN(C)CCCCCCOc1cc(F)c(C(=O)c2ccc(F)cc2F)cc1F.Cl
InChIInChI=1S/C21H23F4NO2.ClH/c1-26(2)9-5-3-4-6-10-28-20-13-18(24)16(12-19(20)25)21(27)15-8-7-14(22)11-17(15)23;/h7-8,11-13H,3-6,9-10H2,1-2H3;1H
InChIKeyCWWAMGLQRONFLE-UHFFFAOYSA-N
MW433.87 g/mol
LogP5.40
Rot. Bonds10

About (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride

(2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride (PubChem CID 18434245) has the molecular formula C21H24ClF4NO2 and a molecular weight of 433.87 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride
PubChem CID18434245
Molecular FormulaC21H24ClF4NO2
Molecular Weight433.87 g/mol
Exact Mass433.14
IUPAC Name(2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride
SMILESCN(C)CCCCCCOc1cc(F)c(C(=O)c2ccc(F)cc2F)cc1F.Cl
InChIInChI=1S/C21H23F4NO2.ClH/c1-26(2)9-5-3-4-6-10-28-20-13-18(24)16(12-19(20)25)21(27)15-8-7-14(22)11-17(15)23;/h7-8,11-13H,3-6,9-10H2,1-2H3;1H
InChIKeyCWWAMGLQRONFLE-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride?
The IUPAC name of (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride (CID 18434245) is (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride?
The canonical SMILES for (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride is CN(C)CCCCCCOc1cc(F)c(C(=O)c2ccc(F)cc2F)cc1F.Cl.
What is the InChIKey of (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride?
The InChIKey is CWWAMGLQRONFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4NO2.ClH/c1-26(2)9-5-3-4-6-10-28-20-13-18(24)16(12-19(20)25)21(27)15-8-7-14(22)11-17(15)23;/h7-8,11-13H,3-6,9-10H2,1-2H3;1H.
What are the key properties of (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride?
(2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride has a molecular weight of 433.87 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[6-(dimethylamino)hexoxy]-2,5-difluorophenyl]methanone;hydrochloride is sourced from PubChem (CID 18434245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).