[2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate

C12H15F3N2O2 — CID 175011700

IUPAC[2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate
SMILESCC(C)(COC(N)=O)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(2,6-19-10(17)18)8-4-3-7(16)5-9(8)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18)
InChIKeyQKRWEPVHPLZVJW-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.66
Rot. Bonds3

About [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate

[2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate (PubChem CID 175011700) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate.

Molecular Properties

Compound Name[2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate
PubChem CID175011700
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name[2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate
SMILESCC(C)(COC(N)=O)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(2,6-19-10(17)18)8-4-3-7(16)5-9(8)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18)
InChIKeyQKRWEPVHPLZVJW-UHFFFAOYSA-N
XLogP2.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.66
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 [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate?
The IUPAC name of [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate (CID 175011700) is [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate.
What is the SMILES notation for [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate?
The canonical SMILES for [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate is CC(C)(COC(N)=O)c1ccc(N)cc1C(F)(F)F.
What is the InChIKey of [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate?
The InChIKey is QKRWEPVHPLZVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2,6-19-10(17)18)8-4-3-7(16)5-9(8)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18).
What are the key properties of [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate?
[2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate has a molecular weight of 276.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropyl] carbamate is sourced from PubChem (CID 175011700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).