(2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride

C8H10Cl2FNO — CID 86712006

IUPAC(2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyMLKIWOGVBABSOA-DDWIOCJRSA-N
MW226.08 g/mol
LogP1.89
Rot. Bonds2

About (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride (PubChem CID 86712006) has the molecular formula C8H10Cl2FNO and a molecular weight of 226.08 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
PubChem CID86712006
Molecular FormulaC8H10Cl2FNO
Molecular Weight226.08 g/mol
Exact Mass225.01
IUPAC Name(2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyMLKIWOGVBABSOA-DDWIOCJRSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride (CID 86712006) is (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
The InChIKey is MLKIWOGVBABSOA-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9ClFNO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride has a molecular weight of 226.08 g/mol, XLogP of 1.89, 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-(4-chloro-3-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 86712006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).