4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride

C8H11ClFNO2 — CID 15942739

IUPAC4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride
SMILESCl.NCC(O)c1ccc(O)c(F)c1
InChIInChI=1S/C8H10FNO2.ClH/c9-6-3-5(8(12)4-10)1-2-7(6)11;/h1-3,8,11-12H,4,10H2;1H
InChIKeyNVNHRHYUWIVJQZ-UHFFFAOYSA-N
MW207.63 g/mol
LogP0.95
Rot. Bonds2

About 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride

4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride (PubChem CID 15942739) has the molecular formula C8H11ClFNO2 and a molecular weight of 207.63 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride
PubChem CID15942739
Molecular FormulaC8H11ClFNO2
Molecular Weight207.63 g/mol
Exact Mass207.05
IUPAC Name4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride
SMILESCl.NCC(O)c1ccc(O)c(F)c1
InChIInChI=1S/C8H10FNO2.ClH/c9-6-3-5(8(12)4-10)1-2-7(6)11;/h1-3,8,11-12H,4,10H2;1H
InChIKeyNVNHRHYUWIVJQZ-UHFFFAOYSA-N
XLogP0.95
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.63
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride (CID 15942739) is 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride is Cl.NCC(O)c1ccc(O)c(F)c1.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride?
The InChIKey is NVNHRHYUWIVJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2.ClH/c9-6-3-5(8(12)4-10)1-2-7(6)11;/h1-3,8,11-12H,4,10H2;1H.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride?
4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride has a molecular weight of 207.63 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride is sourced from PubChem (CID 15942739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).