(2-aminophenyl)methyl fluoro carbonate

C8H8FNO3 — CID 141339688

IUPAC(2-aminophenyl)methyl fluoro carbonate
SMILESNc1ccccc1COC(=O)OF
InChIInChI=1S/C8H8FNO3/c9-13-8(11)12-5-6-3-1-2-4-7(6)10/h1-4H,5,10H2
InChIKeyGTISOIQJTHMICB-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.81
Rot. Bonds2

About (2-aminophenyl)methyl fluoro carbonate

(2-aminophenyl)methyl fluoro carbonate (PubChem CID 141339688) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is (2-aminophenyl)methyl fluoro carbonate.

Molecular Properties

Compound Name(2-aminophenyl)methyl fluoro carbonate
PubChem CID141339688
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name(2-aminophenyl)methyl fluoro carbonate
SMILESNc1ccccc1COC(=O)OF
InChIInChI=1S/C8H8FNO3/c9-13-8(11)12-5-6-3-1-2-4-7(6)10/h1-4H,5,10H2
InChIKeyGTISOIQJTHMICB-UHFFFAOYSA-N
XLogP1.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)methyl fluoro carbonate?
The IUPAC name of (2-aminophenyl)methyl fluoro carbonate (CID 141339688) is (2-aminophenyl)methyl fluoro carbonate.
What is the SMILES notation for (2-aminophenyl)methyl fluoro carbonate?
The canonical SMILES for (2-aminophenyl)methyl fluoro carbonate is Nc1ccccc1COC(=O)OF.
What is the InChIKey of (2-aminophenyl)methyl fluoro carbonate?
The InChIKey is GTISOIQJTHMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-13-8(11)12-5-6-3-1-2-4-7(6)10/h1-4H,5,10H2.
What are the key properties of (2-aminophenyl)methyl fluoro carbonate?
(2-aminophenyl)methyl fluoro carbonate has a molecular weight of 185.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methyl fluoro carbonate is sourced from PubChem (CID 141339688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).