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

C8H10FNO — CID 45090613

IUPAC2-amino-2-(3-fluorophenyl)ethanol
SMILESNC(CO)c1cccc(F)c1
InChIInChI=1S/C8H10FNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2
InChIKeyZPXAEESIPIUPTJ-UHFFFAOYSA-N
MW155.17 g/mol
LogP0.82
Rot. Bonds2

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

2-amino-2-(3-fluorophenyl)ethanol (PubChem CID 45090613) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-amino-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-fluorophenyl)ethanol
PubChem CID45090613
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-amino-2-(3-fluorophenyl)ethanol
SMILESNC(CO)c1cccc(F)c1
InChIInChI=1S/C8H10FNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2
InChIKeyZPXAEESIPIUPTJ-UHFFFAOYSA-N
XLogP0.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3-fluorophenyl)ethanol (CID 45090613) is 2-amino-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-fluorophenyl)ethanol is NC(CO)c1cccc(F)c1.
What is the InChIKey of 2-amino-2-(3-fluorophenyl)ethanol?
The InChIKey is ZPXAEESIPIUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2.
What are the key properties of 2-amino-2-(3-fluorophenyl)ethanol?
2-amino-2-(3-fluorophenyl)ethanol has a molecular weight of 155.17 g/mol, XLogP of 0.82, 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-fluorophenyl)ethanol is sourced from PubChem (CID 45090613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).