3-amino-4-fluorophenol;oxolane

C10H14FNO2 — CID 175270087

IUPAC3-amino-4-fluorophenol;oxolane
SMILESC1CCOC1.Nc1cc(O)ccc1F
InChIInChI=1S/C6H6FNO.C4H8O/c7-5-2-1-4(9)3-6(5)8;1-2-4-5-3-1/h1-3,9H,8H2;1-4H2
InChIKeyNUASXZNEVYYWEO-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.91
Rot. Bonds

About 3-amino-4-fluorophenol;oxolane

3-amino-4-fluorophenol;oxolane (PubChem CID 175270087) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-amino-4-fluorophenol;oxolane.

Molecular Properties

Compound Name3-amino-4-fluorophenol;oxolane
PubChem CID175270087
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name3-amino-4-fluorophenol;oxolane
SMILESC1CCOC1.Nc1cc(O)ccc1F
InChIInChI=1S/C6H6FNO.C4H8O/c7-5-2-1-4(9)3-6(5)8;1-2-4-5-3-1/h1-3,9H,8H2;1-4H2
InChIKeyNUASXZNEVYYWEO-UHFFFAOYSA-N
XLogP1.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-fluorophenol;oxolane?
The IUPAC name of 3-amino-4-fluorophenol;oxolane (CID 175270087) is 3-amino-4-fluorophenol;oxolane.
What is the SMILES notation for 3-amino-4-fluorophenol;oxolane?
The canonical SMILES for 3-amino-4-fluorophenol;oxolane is C1CCOC1.Nc1cc(O)ccc1F.
What is the InChIKey of 3-amino-4-fluorophenol;oxolane?
The InChIKey is NUASXZNEVYYWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO.C4H8O/c7-5-2-1-4(9)3-6(5)8;1-2-4-5-3-1/h1-3,9H,8H2;1-4H2.
What are the key properties of 3-amino-4-fluorophenol;oxolane?
3-amino-4-fluorophenol;oxolane has a molecular weight of 199.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluorophenol;oxolane is sourced from PubChem (CID 175270087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).