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

C8H10Cl2FNO — CID 71757971

IUPAC2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC(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
InChIKeyMLKIWOGVBABSOA-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.89
Rot. Bonds2

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

2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride (PubChem CID 71757971) has the molecular formula C8H10Cl2FNO and a molecular weight of 226.08 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
PubChem CID71757971
Molecular FormulaC8H10Cl2FNO
Molecular Weight226.08 g/mol
Exact Mass225.01
IUPAC Name2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC(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
InChIKeyMLKIWOGVBABSOA-UHFFFAOYSA-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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Related Compounds

3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
(1S,2S)-2-amino-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 95933939
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride (CID 71757971) is 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride is Cl.NC(CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
The InChIKey is MLKIWOGVBABSOA-UHFFFAOYSA-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.
What are the key properties of 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride?
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 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 71757971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).