N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine

C10H11Cl2F2N — CID 60921887

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2F2N/c11-8-2-1-7(9(12)5-8)3-4-15-6-10(13)14/h1-2,5,10,15H,3-4,6H2
InChIKeySUCDSSVFUVHPBL-UHFFFAOYSA-N
MW254.11 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine

N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine (PubChem CID 60921887) has the molecular formula C10H11Cl2F2N and a molecular weight of 254.11 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
PubChem CID60921887
Molecular FormulaC10H11Cl2F2N
Molecular Weight254.11 g/mol
Exact Mass253.02
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2F2N/c11-8-2-1-7(9(12)5-8)3-4-15-6-10(13)14/h1-2,5,10,15H,3-4,6H2
InChIKeySUCDSSVFUVHPBL-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714746
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 60897738
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
CID 63934394
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine (CID 60921887) is N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine is FC(F)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine?
The InChIKey is SUCDSSVFUVHPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2N/c11-8-2-1-7(9(12)5-8)3-4-15-6-10(13)14/h1-2,5,10,15H,3-4,6H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine?
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine has a molecular weight of 254.11 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 60921887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).