6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol

C8H9ClFNO — CID 55274095

IUPAC6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol
SMILESC[C@@H](N)c1ccc(Cl)c(F)c1O
InChIInChI=1S/C8H9ClFNO/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-4,12H,11H2,1H3/t4-/m1/s1
InChIKeyZGHFHBAUBYGGTD-SCSAIBSYSA-N
MW189.62 g/mol
LogP2.20
Rot. Bonds1

About 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol

6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol (PubChem CID 55274095) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol
PubChem CID55274095
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol
SMILESC[C@@H](N)c1ccc(Cl)c(F)c1O
InChIInChI=1S/C8H9ClFNO/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-4,12H,11H2,1H3/t4-/m1/s1
InChIKeyZGHFHBAUBYGGTD-SCSAIBSYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol?
The IUPAC name of 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol (CID 55274095) is 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol is C[C@@H](N)c1ccc(Cl)c(F)c1O.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol?
The InChIKey is ZGHFHBAUBYGGTD-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-4,12H,11H2,1H3/t4-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol?
6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol has a molecular weight of 189.62 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-3-chloro-2-fluorophenol is sourced from PubChem (CID 55274095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).