2-fluoro-4-(propylamino)phenol

C9H12FNO — CID 64780527

IUPAC2-fluoro-4-(propylamino)phenol
SMILESCCCNc1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO/c1-2-5-11-7-3-4-9(12)8(10)6-7/h3-4,6,11-12H,2,5H2,1H3
InChIKeyRUSLNLRTKUNKOO-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.35
Rot. Bonds3

About 2-fluoro-4-(propylamino)phenol

2-fluoro-4-(propylamino)phenol (PubChem CID 64780527) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-fluoro-4-(propylamino)phenol.

Molecular Properties

Compound Name2-fluoro-4-(propylamino)phenol
PubChem CID64780527
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-fluoro-4-(propylamino)phenol
SMILESCCCNc1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO/c1-2-5-11-7-3-4-9(12)8(10)6-7/h3-4,6,11-12H,2,5H2,1H3
InChIKeyRUSLNLRTKUNKOO-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(propylamino)phenol?
The IUPAC name of 2-fluoro-4-(propylamino)phenol (CID 64780527) is 2-fluoro-4-(propylamino)phenol.
What is the SMILES notation for 2-fluoro-4-(propylamino)phenol?
The canonical SMILES for 2-fluoro-4-(propylamino)phenol is CCCNc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(propylamino)phenol?
The InChIKey is RUSLNLRTKUNKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-5-11-7-3-4-9(12)8(10)6-7/h3-4,6,11-12H,2,5H2,1H3.
What are the key properties of 2-fluoro-4-(propylamino)phenol?
2-fluoro-4-(propylamino)phenol has a molecular weight of 169.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(propylamino)phenol is sourced from PubChem (CID 64780527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).