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

C8H9ClFNO — CID 118628723

IUPAC2-(2-amino-4-chloro-3-fluorophenyl)ethanol
SMILESNc1c(CCO)ccc(Cl)c1F
InChIInChI=1S/C8H9ClFNO/c9-6-2-1-5(3-4-12)8(11)7(6)10/h1-2,12H,3-4,11H2
InChIKeyVGDUXWLCZSOREQ-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.60
Rot. Bonds2

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

2-(2-amino-4-chloro-3-fluorophenyl)ethanol (PubChem CID 118628723) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-chloro-3-fluorophenyl)ethanol
PubChem CID118628723
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name2-(2-amino-4-chloro-3-fluorophenyl)ethanol
SMILESNc1c(CCO)ccc(Cl)c1F
InChIInChI=1S/C8H9ClFNO/c9-6-2-1-5(3-4-12)8(11)7(6)10/h1-2,12H,3-4,11H2
InChIKeyVGDUXWLCZSOREQ-UHFFFAOYSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-amino-4-chloro-3-fluorophenyl)ethanol (CID 118628723) is 2-(2-amino-4-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4-chloro-3-fluorophenyl)ethanol is Nc1c(CCO)ccc(Cl)c1F.
What is the InChIKey of 2-(2-amino-4-chloro-3-fluorophenyl)ethanol?
The InChIKey is VGDUXWLCZSOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-6-2-1-5(3-4-12)8(11)7(6)10/h1-2,12H,3-4,11H2.
What are the key properties of 2-(2-amino-4-chloro-3-fluorophenyl)ethanol?
2-(2-amino-4-chloro-3-fluorophenyl)ethanol has a molecular weight of 189.62 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 118628723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).