(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol

C8H8Cl2FNO — CID 130709750

IUPAC(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
SMILESN[C@H](CO)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c9-4-1-2-5(11)7(8(4)10)6(12)3-13/h1-2,6,13H,3,12H2/t6-/m1/s1
InChIKeyMBYGNROLSWMJSC-ZCFIWIBFSA-N
MW224.06 g/mol
LogP2.12
Rot. Bonds2

About (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol

(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol (PubChem CID 130709750) has the molecular formula C8H8Cl2FNO and a molecular weight of 224.06 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
PubChem CID130709750
Molecular FormulaC8H8Cl2FNO
Molecular Weight224.06 g/mol
Exact Mass223.00
IUPAC Name(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
SMILESN[C@H](CO)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c9-4-1-2-5(11)7(8(4)10)6(12)3-13/h1-2,6,13H,3,12H2/t6-/m1/s1
InChIKeyMBYGNROLSWMJSC-ZCFIWIBFSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
(1S)-1-(2,3-dichloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171235224
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbut-3-en-1-amine
CID 131465907
(1R)-1-(2,3-dichloro-6-fluorophenyl)but-3-en-1-amine
CID 130701468
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171215588
(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
CID 171215609
(3R)-3-amino-3-(2,3-dichloro-6-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 131566185
(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
CID 171215578
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711
2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
CID 117324265
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol (CID 130709750) is (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol is N[C@H](CO)c1c(F)ccc(Cl)c1Cl.
What is the InChIKey of (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol?
The InChIKey is MBYGNROLSWMJSC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8Cl2FNO/c9-4-1-2-5(11)7(8(4)10)6(12)3-13/h1-2,6,13H,3,12H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol?
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol has a molecular weight of 224.06 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol is sourced from PubChem (CID 130709750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).