(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride

C8H9Cl3FN — CID 171215578

IUPAC(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1c(F)ccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H8Cl2FN.ClH/c1-4(12)7-6(11)3-2-5(9)8(7)10;/h2-4H,12H2,1H3;1H/t4-;/m1./s1
InChIKeyGINCUUZZSVQZNI-PGMHMLKASA-N
MW244.52 g/mol
LogP3.57
Rot. Bonds1

About (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride

(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride (PubChem CID 171215578) has the molecular formula C8H9Cl3FN and a molecular weight of 244.52 g/mol. Its IUPAC name is (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
PubChem CID171215578
Molecular FormulaC8H9Cl3FN
Molecular Weight244.52 g/mol
Exact Mass242.98
IUPAC Name(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1c(F)ccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H8Cl2FN.ClH/c1-4(12)7-6(11)3-2-5(9)8(7)10;/h2-4H,12H2,1H3;1H/t4-;/m1./s1
InChIKeyGINCUUZZSVQZNI-PGMHMLKASA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.57
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

(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171215588
(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
CID 171215609
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
(1R,2S)-1-amino-1-(2,3-dichloro-6-fluorophenyl)-5-methylhexan-2-ol
CID 171265859
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbut-3-en-1-amine
CID 131465907
(3R)-3-amino-3-(2,3-dichloro-6-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 131566185
1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine
CID 130002531
(1S)-1-(2,3-dichloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171235224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride (CID 171215578) is (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride is C[C@@H](N)c1c(F)ccc(Cl)c1Cl.Cl.
What is the InChIKey of (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is GINCUUZZSVQZNI-PGMHMLKASA-N. The full InChI is InChI=1S/C8H8Cl2FN.ClH/c1-4(12)7-6(11)3-2-5(9)8(7)10;/h2-4H,12H2,1H3;1H/t4-;/m1./s1.
What are the key properties of (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride?
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 244.52 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171215578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).