2-amino-3,6-dichloro-4-fluorophenol

C6H4Cl2FNO — CID 84666634

IUPAC2-amino-3,6-dichloro-4-fluorophenol
SMILESNc1c(O)c(Cl)cc(F)c1Cl
InChIInChI=1S/C6H4Cl2FNO/c7-2-1-3(9)4(8)5(10)6(2)11/h1,11H,10H2
InChIKeyRSSIXODLKGTHGE-UHFFFAOYSA-N
MW196.01 g/mol
LogP2.42
Rot. Bonds

About 2-amino-3,6-dichloro-4-fluorophenol

2-amino-3,6-dichloro-4-fluorophenol (PubChem CID 84666634) has the molecular formula C6H4Cl2FNO and a molecular weight of 196.01 g/mol. Its IUPAC name is 2-amino-3,6-dichloro-4-fluorophenol.

Molecular Properties

Compound Name2-amino-3,6-dichloro-4-fluorophenol
PubChem CID84666634
Molecular FormulaC6H4Cl2FNO
Molecular Weight196.01 g/mol
Exact Mass194.97
IUPAC Name2-amino-3,6-dichloro-4-fluorophenol
SMILESNc1c(O)c(Cl)cc(F)c1Cl
InChIInChI=1S/C6H4Cl2FNO/c7-2-1-3(9)4(8)5(10)6(2)11/h1,11H,10H2
InChIKeyRSSIXODLKGTHGE-UHFFFAOYSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.01
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-3-fluorophenol
CID 45120107
2-amino-3-chloro-6-fluoro-4-methylphenol
CID 84655409
2,4-dichloro-5-fluorobenzene-1,3-diamine
CID 12029505
2-amino-6-chloro-4-fluorophenol
CID 11275173
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde
CID 83891004
2-bromo-6-chloro-3,4-difluoroaniline
CID 122402925
3-chloro-2,4,6-trifluoroaniline
CID 71758632
2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
2-(1-aminoethyl)-6-chloro-3,4-difluorophenol
CID 117296950
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dichloro-4-fluorophenol?
The IUPAC name of 2-amino-3,6-dichloro-4-fluorophenol (CID 84666634) is 2-amino-3,6-dichloro-4-fluorophenol.
What is the SMILES notation for 2-amino-3,6-dichloro-4-fluorophenol?
The canonical SMILES for 2-amino-3,6-dichloro-4-fluorophenol is Nc1c(O)c(Cl)cc(F)c1Cl.
What is the InChIKey of 2-amino-3,6-dichloro-4-fluorophenol?
The InChIKey is RSSIXODLKGTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2FNO/c7-2-1-3(9)4(8)5(10)6(2)11/h1,11H,10H2.
What are the key properties of 2-amino-3,6-dichloro-4-fluorophenol?
2-amino-3,6-dichloro-4-fluorophenol has a molecular weight of 196.01 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dichloro-4-fluorophenol is sourced from PubChem (CID 84666634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).