(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride

C8H6Cl4F3N — CID 171243893

IUPAC(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1c(Cl)ccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl3F3N.ClH/c9-3-1-2-4(10)6(11)5(3)7(15)8(12,13)14;/h1-2,7H,15H2;1H/t7-;/m1./s1
InChIKeyNWWBDTKIWDZOOH-OGFXRTJISA-N
MW314.95 g/mol
LogP4.63
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride (PubChem CID 171243893) has the molecular formula C8H6Cl4F3N and a molecular weight of 314.95 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
PubChem CID171243893
Molecular FormulaC8H6Cl4F3N
Molecular Weight314.95 g/mol
Exact Mass312.92
IUPAC Name(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1c(Cl)ccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl3F3N.ClH/c9-3-1-2-4(10)6(11)5(3)7(15)8(12,13)14;/h1-2,7H,15H2;1H/t7-;/m1./s1
InChIKeyNWWBDTKIWDZOOH-OGFXRTJISA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.95
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-2,2-difluoro-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171250631
(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171249436
(3S)-3-amino-2,2-difluoro-3-(2,3,6-trichlorophenyl)propan-1-ol
CID 131257946
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride
CID 171253460
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062
(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
CID 171243894
(3S)-3-amino-2,2-dimethyl-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171243899
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255856
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzene-1,3-diol
CID 66510899
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376
(1S)-1-(3,6-dichloro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 131122521

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride (CID 171243893) is (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride is Cl.N[C@H](c1c(Cl)ccc(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
The InChIKey is NWWBDTKIWDZOOH-OGFXRTJISA-N. The full InChI is InChI=1S/C8H5Cl3F3N.ClH/c9-3-1-2-4(10)6(11)5(3)7(15)8(12,13)14;/h1-2,7H,15H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride has a molecular weight of 314.95 g/mol, XLogP of 4.63, 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-(2,3,6-trichlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171243893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).