4-amino-2-fluorophenol;phenol

C12H12FNO2 — CID 161491150

IUPAC4-amino-2-fluorophenol;phenol
SMILESNc1ccc(O)c(F)c1.Oc1ccccc1
InChIInChI=1S/C6H6FNO.C6H6O/c7-5-3-4(8)1-2-6(5)9;7-6-4-2-1-3-5-6/h1-3,9H,8H2;1-5,7H
InChIKeyWFPWRNHAGUNKMZ-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.51
Rot. Bonds

About 4-amino-2-fluorophenol;phenol

4-amino-2-fluorophenol;phenol (PubChem CID 161491150) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-amino-2-fluorophenol;phenol.

Molecular Properties

Compound Name4-amino-2-fluorophenol;phenol
PubChem CID161491150
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name4-amino-2-fluorophenol;phenol
SMILESNc1ccc(O)c(F)c1.Oc1ccccc1
InChIInChI=1S/C6H6FNO.C6H6O/c7-5-3-4(8)1-2-6(5)9;7-6-4-2-1-3-5-6/h1-3,9H,8H2;1-5,7H
InChIKeyWFPWRNHAGUNKMZ-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;phenol?
The IUPAC name of 4-amino-2-fluorophenol;phenol (CID 161491150) is 4-amino-2-fluorophenol;phenol.
What is the SMILES notation for 4-amino-2-fluorophenol;phenol?
The canonical SMILES for 4-amino-2-fluorophenol;phenol is Nc1ccc(O)c(F)c1.Oc1ccccc1.
What is the InChIKey of 4-amino-2-fluorophenol;phenol?
The InChIKey is WFPWRNHAGUNKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO.C6H6O/c7-5-3-4(8)1-2-6(5)9;7-6-4-2-1-3-5-6/h1-3,9H,8H2;1-5,7H.
What are the key properties of 4-amino-2-fluorophenol;phenol?
4-amino-2-fluorophenol;phenol has a molecular weight of 221.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorophenol;phenol is sourced from PubChem (CID 161491150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).