2-amino-6-fluorophenol;hydrochloride

C6H7ClFNO — CID 174428630

IUPAC2-amino-6-fluorophenol;hydrochloride
SMILESCl.Nc1cccc(F)c1O
InChIInChI=1S/C6H6FNO.ClH/c7-4-2-1-3-5(8)6(4)9;/h1-3,9H,8H2;1H
InChIKeyGHJVFERSPGZVQG-UHFFFAOYSA-N
MW163.58 g/mol
LogP1.54
Rot. Bonds

About 2-amino-6-fluorophenol;hydrochloride

2-amino-6-fluorophenol;hydrochloride (PubChem CID 174428630) has the molecular formula C6H7ClFNO and a molecular weight of 163.58 g/mol. Its IUPAC name is 2-amino-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-6-fluorophenol;hydrochloride
PubChem CID174428630
Molecular FormulaC6H7ClFNO
Molecular Weight163.58 g/mol
Exact Mass163.02
IUPAC Name2-amino-6-fluorophenol;hydrochloride
SMILESCl.Nc1cccc(F)c1O
InChIInChI=1S/C6H6FNO.ClH/c7-4-2-1-3-5(8)6(4)9;/h1-3,9H,8H2;1H
InChIKeyGHJVFERSPGZVQG-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.58
LogP ≤ 51.54
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'}

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Related Compounds

bis(2,6-difluorophenol);zirconium
CID 161409047
2-(18F)fluoro(18F)aniline;hydrochloride
CID 11423671
6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 76974055
2,6-difluorophenol;2-fluorophenol
CID 160898350
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
2-(4-aminophenyl)-6-fluorophenol
CID 171109419
2-amino-6-(trifluoromethyl)phenol
CID 22272746
2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
CID 174546410
2,3-diaminophenol;hydrochloride
CID 18381079
2,3-diaminophenol;dihydrochloride
CID 18401751
ethane;2-fluoro-6-methylphenol
CID 162729094
3-fluorobenzene-1,2-diamine;sulfur monoxide
CID 144699630

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluorophenol;hydrochloride?
The IUPAC name of 2-amino-6-fluorophenol;hydrochloride (CID 174428630) is 2-amino-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-amino-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-amino-6-fluorophenol;hydrochloride is Cl.Nc1cccc(F)c1O.
What is the InChIKey of 2-amino-6-fluorophenol;hydrochloride?
The InChIKey is GHJVFERSPGZVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO.ClH/c7-4-2-1-3-5(8)6(4)9;/h1-3,9H,8H2;1H.
What are the key properties of 2-amino-6-fluorophenol;hydrochloride?
2-amino-6-fluorophenol;hydrochloride has a molecular weight of 163.58 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluorophenol;hydrochloride is sourced from PubChem (CID 174428630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).