1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine

C14H9Cl2F4N — CID 62963746

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)c(Cl)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F4N/c1-14(21,6-2-3-10(17)13(20)12(6)19)7-4-11(18)9(16)5-8(7)15/h2-5H,21H2,1H3
InChIKeyDQCSDHSPYWARDZ-UHFFFAOYSA-N
MW338.13 g/mol
LogP4.77
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine

1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 62963746) has the molecular formula C14H9Cl2F4N and a molecular weight of 338.13 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID62963746
Molecular FormulaC14H9Cl2F4N
Molecular Weight338.13 g/mol
Exact Mass337.00
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)c(Cl)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F4N/c1-14(21,6-2-3-10(17)13(20)12(6)19)7-4-11(18)9(16)5-8(7)15/h2-5H,21H2,1H3
InChIKeyDQCSDHSPYWARDZ-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 62963746) is 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine is CC(N)(c1cc(F)c(Cl)cc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is DQCSDHSPYWARDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F4N/c1-14(21,6-2-3-10(17)13(20)12(6)19)7-4-11(18)9(16)5-8(7)15/h2-5H,21H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 338.13 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 62963746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).