3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol

C8H9ClFNO2 — CID 84778809

IUPAC3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
SMILESNCC(O)c1c(F)ccc(O)c1Cl
InChIInChI=1S/C8H9ClFNO2/c9-8-5(12)2-1-4(10)7(8)6(13)3-11/h1-2,6,12-13H,3,11H2
InChIKeyJPOBPKSBDCDPSM-UHFFFAOYSA-N
MW205.62 g/mol
LogP1.18
Rot. Bonds2

About 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol

3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol (PubChem CID 84778809) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
PubChem CID84778809
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
SMILESNCC(O)c1c(F)ccc(O)c1Cl
InChIInChI=1S/C8H9ClFNO2/c9-8-5(12)2-1-4(10)7(8)6(13)3-11/h1-2,6,12-13H,3,11H2
InChIKeyJPOBPKSBDCDPSM-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

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Related Compounds

2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluorophenol
CID 83882618
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
2-amino-1-(3-chloro-6-fluoro-2-methylphenyl)ethanol
CID 84777619
3-amino-3-(2-chloro-6-fluoro-3-hydroxyphenyl)propanoic acid
CID 84796514
3-amino-1-(2-chloro-3,6-difluorophenyl)propane-1,2-diol
CID 170829227
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034
2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
CID 84776107

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol (CID 84778809) is 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol is NCC(O)c1c(F)ccc(O)c1Cl.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol?
The InChIKey is JPOBPKSBDCDPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c9-8-5(12)2-1-4(10)7(8)6(13)3-11/h1-2,6,12-13H,3,11H2.
What are the key properties of 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol?
3-(2-amino-1-hydroxyethyl)-2-chloro-4-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 3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol is sourced from PubChem (CID 84778809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).