[amino-(4-fluorophenyl)methyl] formate

C8H8FNO2 — CID 58075426

IUPAC[amino-(4-fluorophenyl)methyl] formate
SMILESNC(OC=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO2/c9-7-3-1-6(2-4-7)8(10)12-5-11/h1-5,8H,10H2
InChIKeyZFBWTTPWVXFVJJ-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.96
Rot. Bonds3

About [amino-(4-fluorophenyl)methyl] formate

[amino-(4-fluorophenyl)methyl] formate (PubChem CID 58075426) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is [amino-(4-fluorophenyl)methyl] formate.

Molecular Properties

Compound Name[amino-(4-fluorophenyl)methyl] formate
PubChem CID58075426
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name[amino-(4-fluorophenyl)methyl] formate
SMILESNC(OC=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO2/c9-7-3-1-6(2-4-7)8(10)12-5-11/h1-5,8H,10H2
InChIKeyZFBWTTPWVXFVJJ-UHFFFAOYSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(4-fluorophenyl)methyl] formate?
The IUPAC name of [amino-(4-fluorophenyl)methyl] formate (CID 58075426) is [amino-(4-fluorophenyl)methyl] formate.
What is the SMILES notation for [amino-(4-fluorophenyl)methyl] formate?
The canonical SMILES for [amino-(4-fluorophenyl)methyl] formate is NC(OC=O)c1ccc(F)cc1.
What is the InChIKey of [amino-(4-fluorophenyl)methyl] formate?
The InChIKey is ZFBWTTPWVXFVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-7-3-1-6(2-4-7)8(10)12-5-11/h1-5,8H,10H2.
What are the key properties of [amino-(4-fluorophenyl)methyl] formate?
[amino-(4-fluorophenyl)methyl] formate has a molecular weight of 169.16 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-fluorophenyl)methyl] formate is sourced from PubChem (CID 58075426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).