(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine

C8H5Cl3F3N — CID 66512062

IUPAC(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
SMILESN[C@H](c1ccc(Cl)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl3F3N/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2,7H,15H2/t7-/m1/s1
InChIKeyMLZQHMIRAHSPOB-SSDOTTSWSA-N
MW278.49 g/mol
LogP4.21
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine (PubChem CID 66512062) has the molecular formula C8H5Cl3F3N and a molecular weight of 278.49 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
PubChem CID66512062
Molecular FormulaC8H5Cl3F3N
Molecular Weight278.49 g/mol
Exact Mass276.94
IUPAC Name(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
SMILESN[C@H](c1ccc(Cl)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl3F3N/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2,7H,15H2/t7-/m1/s1
InChIKeyMLZQHMIRAHSPOB-SSDOTTSWSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine (CID 66512062) is (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine is N[C@H](c1ccc(Cl)c(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine?
The InChIKey is MLZQHMIRAHSPOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5Cl3F3N/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2,7H,15H2/t7-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine has a molecular weight of 278.49 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine is sourced from PubChem (CID 66512062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).