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

C8H10Cl2FNO — CID 45037032

IUPAC2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO.ClH/c9-6-3-5(8(11)4-12)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H
InChIKeyHEMKHTRHHXHZEJ-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.89
Rot. Bonds2

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

2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride (PubChem CID 45037032) has the molecular formula C8H10Cl2FNO and a molecular weight of 226.08 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride
PubChem CID45037032
Molecular FormulaC8H10Cl2FNO
Molecular Weight226.08 g/mol
Exact Mass225.01
IUPAC Name2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO.ClH/c9-6-3-5(8(11)4-12)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H
InChIKeyHEMKHTRHHXHZEJ-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

2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
2-Amino-1-(3-chlorophenyl)ethan-1-ol
CID 3751601
3-Amino-3-(3-chlorophenyl)propan-1-ol
CID 5238060
2-Amino-2-phenylethan-1-ol
CID 134797
beta-Amino-4-chlorobenzenepropanol
CID 548289
(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol
CID 25418153
2-Amino-2-(3,5-dichlorophenyl)ethanol
CID 2734585
2-Amino-2-(4-chlorophenyl)ethan-1-ol
CID 14853195
2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
3-Amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride (CID 45037032) is 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride is Cl.NC(CO)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride?
The InChIKey is HEMKHTRHHXHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO.ClH/c9-6-3-5(8(11)4-12)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H.
What are the key properties of 2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride?
2-amino-2-(3-chloro-4-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-(3-chloro-4-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 45037032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).