4-(chloroamino)-2-fluorophenol

C6H5ClFNO — CID 88896365

IUPAC4-(chloroamino)-2-fluorophenol
SMILESOc1ccc(NCl)cc1F
InChIInChI=1S/C6H5ClFNO/c7-9-4-1-2-6(10)5(8)3-4/h1-3,9-10H
InChIKeyISJIVJHFFVOLEV-UHFFFAOYSA-N
MW161.56 g/mol
LogP2.10
Rot. Bonds1

About 4-(chloroamino)-2-fluorophenol

4-(chloroamino)-2-fluorophenol (PubChem CID 88896365) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 4-(chloroamino)-2-fluorophenol.

Molecular Properties

Compound Name4-(chloroamino)-2-fluorophenol
PubChem CID88896365
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name4-(chloroamino)-2-fluorophenol
SMILESOc1ccc(NCl)cc1F
InChIInChI=1S/C6H5ClFNO/c7-9-4-1-2-6(10)5(8)3-4/h1-3,9-10H
InChIKeyISJIVJHFFVOLEV-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-2-fluorophenol
CID 64793889
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
2-fluoro-4-(propylamino)phenol
CID 64780527
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
N-chloro-4-cyclopropyl-3-fluoroaniline
CID 90167485
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638

Frequently Asked Questions

What is the IUPAC name of 4-(chloroamino)-2-fluorophenol?
The IUPAC name of 4-(chloroamino)-2-fluorophenol (CID 88896365) is 4-(chloroamino)-2-fluorophenol.
What is the SMILES notation for 4-(chloroamino)-2-fluorophenol?
The canonical SMILES for 4-(chloroamino)-2-fluorophenol is Oc1ccc(NCl)cc1F.
What is the InChIKey of 4-(chloroamino)-2-fluorophenol?
The InChIKey is ISJIVJHFFVOLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-9-4-1-2-6(10)5(8)3-4/h1-3,9-10H.
What are the key properties of 4-(chloroamino)-2-fluorophenol?
4-(chloroamino)-2-fluorophenol has a molecular weight of 161.56 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloroamino)-2-fluorophenol is sourced from PubChem (CID 88896365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).