2-(2,4-dichlorophenyl)-2-fluoroethanamine

C8H8Cl2FN — CID 58409088

IUPAC2-(2,4-dichlorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2FN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2
InChIKeyYMHASCSYQOHBLS-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.96
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-2-fluoroethanamine

2-(2,4-dichlorophenyl)-2-fluoroethanamine (PubChem CID 58409088) has the molecular formula C8H8Cl2FN and a molecular weight of 208.06 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-fluoroethanamine
PubChem CID58409088
Molecular FormulaC8H8Cl2FN
Molecular Weight208.06 g/mol
Exact Mass207.00
IUPAC Name2-(2,4-dichlorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2FN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2
InChIKeyYMHASCSYQOHBLS-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-fluoroethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-fluoroethanamine (CID 58409088) is 2-(2,4-dichlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-fluoroethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-fluoroethanamine is NCC(F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-fluoroethanamine?
The InChIKey is YMHASCSYQOHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2.
What are the key properties of 2-(2,4-dichlorophenyl)-2-fluoroethanamine?
2-(2,4-dichlorophenyl)-2-fluoroethanamine has a molecular weight of 208.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 58409088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).