(1R)-1-amino-1-(2-fluorophenyl)ethanol

C8H10FNO — CID 54133304

IUPAC(1R)-1-amino-1-(2-fluorophenyl)ethanol
SMILESC[C@@](N)(O)c1ccccc1F
InChIInChI=1S/C8H10FNO/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5,11H,10H2,1H3/t8-/m1/s1
InChIKeyNVWQXUCHLIBEJJ-MRVPVSSYSA-N
MW155.17 g/mol
LogP0.95
Rot. Bonds1

About (1R)-1-amino-1-(2-fluorophenyl)ethanol

(1R)-1-amino-1-(2-fluorophenyl)ethanol (PubChem CID 54133304) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is (1R)-1-amino-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-amino-1-(2-fluorophenyl)ethanol
PubChem CID54133304
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name(1R)-1-amino-1-(2-fluorophenyl)ethanol
SMILESC[C@@](N)(O)c1ccccc1F
InChIInChI=1S/C8H10FNO/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5,11H,10H2,1H3/t8-/m1/s1
InChIKeyNVWQXUCHLIBEJJ-MRVPVSSYSA-N
XLogP0.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1R)-1-amino-1-(2-fluorophenyl)ethanol (CID 54133304) is (1R)-1-amino-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-amino-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1R)-1-amino-1-(2-fluorophenyl)ethanol is C[C@@](N)(O)c1ccccc1F.
What is the InChIKey of (1R)-1-amino-1-(2-fluorophenyl)ethanol?
The InChIKey is NVWQXUCHLIBEJJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5,11H,10H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-amino-1-(2-fluorophenyl)ethanol?
(1R)-1-amino-1-(2-fluorophenyl)ethanol has a molecular weight of 155.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 54133304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).