2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol

C8H8Cl2FNO — CID 130059324

IUPAC2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol
SMILESNC(CF)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H8Cl2FNO/c9-4-1-5(7(12)3-11)8(13)6(10)2-4/h1-2,7,13H,3,12H2
InChIKeyYXEBRLSTPXKVSA-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.67
Rot. Bonds2

About 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol

2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol (PubChem CID 130059324) has the molecular formula C8H8Cl2FNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol.

Molecular Properties

Compound Name2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol
PubChem CID130059324
Molecular FormulaC8H8Cl2FNO
Molecular Weight224.06 g/mol
Exact Mass223.00
IUPAC Name2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol
SMILESNC(CF)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H8Cl2FNO/c9-4-1-5(7(12)3-11)8(13)6(10)2-4/h1-2,7,13H,3,12H2
InChIKeyYXEBRLSTPXKVSA-UHFFFAOYSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.67
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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Related Compounds

2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
CID 171197715
2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255975
2-[(1R)-1-aminobutyl]-4,6-dichlorophenol
CID 130677295
2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253706
2-[(1R)-1-amino-2-fluoroethyl]-4-bromo-6-chlorophenol;hydrochloride
CID 171253267
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dichlorophenol
CID 171197734
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol
CID 171197706
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707
2-[(1S)-1-aminoethyl]-4,6-dichlorophenol;hydrochloride
CID 171217209
methyl (3R)-3-amino-3-(3,5-dichloro-2-hydroxyphenyl)propanoate
CID 171245408
methyl (3R)-3-amino-3-(3,5-dichloro-2-hydroxyphenyl)propanoate;hydrochloride
CID 171245409
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4,6-dichlorophenol;hydrochloride
CID 171238704

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol?
The IUPAC name of 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol (CID 130059324) is 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol.
What is the SMILES notation for 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol?
The canonical SMILES for 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol is NC(CF)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol?
The InChIKey is YXEBRLSTPXKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FNO/c9-4-1-5(7(12)3-11)8(13)6(10)2-4/h1-2,7,13H,3,12H2.
What are the key properties of 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol?
2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol has a molecular weight of 224.06 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol is sourced from PubChem (CID 130059324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).