2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol

C8H9ClFNO2 — CID 77129858

IUPAC2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
SMILESNC(CO)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C8H9ClFNO2/c9-5-1-4(7(11)3-12)8(13)2-6(5)10/h1-2,7,12-13H,3,11H2
InChIKeyYMXFHGFFHXEVFU-UHFFFAOYSA-N
MW205.62 g/mol
LogP1.18
Rot. Bonds2

About 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol

2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol (PubChem CID 77129858) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
PubChem CID77129858
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
SMILESNC(CO)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C8H9ClFNO2/c9-5-1-4(7(11)3-12)8(13)2-6(5)10/h1-2,7,12-13H,3,11H2
InChIKeyYMXFHGFFHXEVFU-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
5-[(1S)-1-amino-2-hydroxyethyl]-2-fluoro-4-hydroxybenzoic acid
CID 66514552
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-5-(trifluoromethyl)phenol
CID 66514812
2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol
CID 83895823
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84788284
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
CID 84774316
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol (CID 77129858) is 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol is NC(CO)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol?
The InChIKey is YMXFHGFFHXEVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c9-5-1-4(7(11)3-12)8(13)2-6(5)10/h1-2,7,12-13H,3,11H2.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol?
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol has a molecular weight of 205.62 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol is sourced from PubChem (CID 77129858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).