2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride

C8H11ClFNO — CID 135204964

IUPAC2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride
SMILESC[C@@H](N)c1cc(F)ccc1O.Cl
InChIInChI=1S/C8H10FNO.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5,11H,10H2,1H3;1H/t5-;/m1./s1
InChIKeyWNTRCWFPNVNFGW-NUBCRITNSA-N
MW191.63 g/mol
LogP1.97
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride

2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride (PubChem CID 135204964) has the molecular formula C8H11ClFNO and a molecular weight of 191.63 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride
PubChem CID135204964
Molecular FormulaC8H11ClFNO
Molecular Weight191.63 g/mol
Exact Mass191.05
IUPAC Name2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride
SMILESC[C@@H](N)c1cc(F)ccc1O.Cl
InChIInChI=1S/C8H10FNO.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5,11H,10H2,1H3;1H/t5-;/m1./s1
InChIKeyWNTRCWFPNVNFGW-NUBCRITNSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.63
LogP ≤ 51.97
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 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride (CID 135204964) is 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride is C[C@@H](N)c1cc(F)ccc1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride?
The InChIKey is WNTRCWFPNVNFGW-NUBCRITNSA-N. The full InChI is InChI=1S/C8H10FNO.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5,11H,10H2,1H3;1H/t5-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride?
2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride has a molecular weight of 191.63 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 135204964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).