4-amino-2-fluorophenol

C6H6FNO — CID 2735918

IUPAC4-amino-2-fluorophenol
SMILESNc1ccc(O)c(F)c1
InChIInChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChIKeyMXJQJURZHQZLNN-UHFFFAOYSA-N
MW127.12 g/mol
LogP1.11
Rot. Bonds

About 4-amino-2-fluorophenol

4-amino-2-fluorophenol (PubChem CID 2735918) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 4-amino-2-fluorophenol.

Molecular Properties

Compound Name4-amino-2-fluorophenol
PubChem CID2735918
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name4-amino-2-fluorophenol
SMILESNc1ccc(O)c(F)c1
InChIInChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChIKeyMXJQJURZHQZLNN-UHFFFAOYSA-N
XLogP1.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorophenol?
The IUPAC name of 4-amino-2-fluorophenol (CID 2735918) is 4-amino-2-fluorophenol.
What is the SMILES notation for 4-amino-2-fluorophenol?
The canonical SMILES for 4-amino-2-fluorophenol is Nc1ccc(O)c(F)c1.
What is the InChIKey of 4-amino-2-fluorophenol?
The InChIKey is MXJQJURZHQZLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2.
What are the key properties of 4-amino-2-fluorophenol?
4-amino-2-fluorophenol has a molecular weight of 127.12 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorophenol is sourced from PubChem (CID 2735918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).