methyl N-amino-N-(2-fluorophenyl)carbamate

C8H9FN2O2 — CID 45119245

IUPACmethyl N-amino-N-(2-fluorophenyl)carbamate
SMILESCOC(=O)N(N)c1ccccc1F
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)11(10)7-5-3-2-4-6(7)9/h2-5H,10H2,1H3
InChIKeyHJHUBFNWYZIQIY-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.27
Rot. Bonds1

About methyl N-amino-N-(2-fluorophenyl)carbamate

methyl N-amino-N-(2-fluorophenyl)carbamate (PubChem CID 45119245) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl N-amino-N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-amino-N-(2-fluorophenyl)carbamate
PubChem CID45119245
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl N-amino-N-(2-fluorophenyl)carbamate
SMILESCOC(=O)N(N)c1ccccc1F
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)11(10)7-5-3-2-4-6(7)9/h2-5H,10H2,1H3
InChIKeyHJHUBFNWYZIQIY-UHFFFAOYSA-N
XLogP1.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-amino-N-(2-fluorophenyl)carbamate?
The IUPAC name of methyl N-amino-N-(2-fluorophenyl)carbamate (CID 45119245) is methyl N-amino-N-(2-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-amino-N-(2-fluorophenyl)carbamate?
The canonical SMILES for methyl N-amino-N-(2-fluorophenyl)carbamate is COC(=O)N(N)c1ccccc1F.
What is the InChIKey of methyl N-amino-N-(2-fluorophenyl)carbamate?
The InChIKey is HJHUBFNWYZIQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)11(10)7-5-3-2-4-6(7)9/h2-5H,10H2,1H3.
What are the key properties of methyl N-amino-N-(2-fluorophenyl)carbamate?
methyl N-amino-N-(2-fluorophenyl)carbamate has a molecular weight of 184.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-amino-N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 45119245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).