[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate

C₁₁H₁₄F₂N₂O₂ — CID 151059714

About [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate

[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate (PubChem CID 151059714) has the molecular formula C₁₁H₁₄F₂N₂O₂ and a molecular weight of 244.24 g/mol. Its IUPAC name is [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

• Compound Name: [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate
• PubChem CID: 151059714
• Molecular Formula: C₁₁H₁₄F₂N₂O₂
• Molecular Weight: 244.24 g/mol
• Exact Mass: 244.10
• IUPAC Name: [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate
• SMILES: CC(C)(Cc1cc(F)c(F)cc1N)OC(N)=O
• InChI: InChI=1S/C11H14F2N2O2/c1-11(2,17-10(15)16)5-6-3-7(12)8(13)4-9(6)14/h3-4H,5,14H2,1-2H3,(H2,15,16)
• InChIKey: MFXFMKIHFWJCSQ-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.24
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?

The IUPAC name of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate (CID 151059714) is [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate.

What is the SMILES notation for [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?

The canonical SMILES for [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cc(F)c(F)cc1N)OC(N)=O.

What is the InChIKey of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?

The InChIKey is MFXFMKIHFWJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,17-10(15)16)5-6-3-7(12)8(13)4-9(6)14/h3-4H,5,14H2,1-2H3,(H2,15,16).

What are the key properties of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?

[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 244.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151059714 — identifiers, structure, computed properties (public domain)

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