3-amino-2-fluorophenol

C6H6FNO — CID 19896037

IUPAC3-amino-2-fluorophenol
SMILESNc1cccc(O)c1F
InChIInChI=1S/C6H6FNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2
InChIKeyXOHHXAVXXARHDY-UHFFFAOYSA-N
MW127.12 g/mol
LogP1.11
Rot. Bonds

About 3-amino-2-fluorophenol

3-amino-2-fluorophenol (PubChem CID 19896037) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-amino-2-fluorophenol.

Molecular Properties

Compound Name3-amino-2-fluorophenol
PubChem CID19896037
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-amino-2-fluorophenol
SMILESNc1cccc(O)c1F
InChIInChI=1S/C6H6FNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2
InChIKeyXOHHXAVXXARHDY-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluorophenol?
The IUPAC name of 3-amino-2-fluorophenol (CID 19896037) is 3-amino-2-fluorophenol.
What is the SMILES notation for 3-amino-2-fluorophenol?
The canonical SMILES for 3-amino-2-fluorophenol is Nc1cccc(O)c1F.
What is the InChIKey of 3-amino-2-fluorophenol?
The InChIKey is XOHHXAVXXARHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2.
What are the key properties of 3-amino-2-fluorophenol?
3-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 3-amino-2-fluorophenol is sourced from PubChem (CID 19896037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).