4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol

C8H8ClF2NO2 — CID 84789353

IUPAC4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
SMILESNCC(O)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C8H8ClF2NO2/c9-7-4(13)1-3(10)6(8(7)11)5(14)2-12/h1,5,13-14H,2,12H2
InChIKeyRIEHRIGVVDPUQN-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.32
Rot. Bonds2

About 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol

4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol (PubChem CID 84789353) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
PubChem CID84789353
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
SMILESNCC(O)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C8H8ClF2NO2/c9-7-4(13)1-3(10)6(8(7)11)5(14)2-12/h1,5,13-14H,2,12H2
InChIKeyRIEHRIGVVDPUQN-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
4-(1-aminoethyl)-2-chloro-3,5-difluorophenol
CID 84779943
3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
CID 84778809
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluorophenol
CID 83882618
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol
CID 117423608
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
2-amino-1-(3-chloro-6-fluoro-2-methylphenyl)ethanol
CID 84777619

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol (CID 84789353) is 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol is NCC(O)c1c(F)cc(O)c(Cl)c1F.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol?
The InChIKey is RIEHRIGVVDPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c9-7-4(13)1-3(10)6(8(7)11)5(14)2-12/h1,5,13-14H,2,12H2.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol?
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol has a molecular weight of 223.61 g/mol, XLogP of 1.32, 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-chloro-3,5-difluorophenol is sourced from PubChem (CID 84789353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).