[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

C12H15F3N2O2 — CID 118947556

IUPAC[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(N)cc1C(F)(F)F)OC(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-11(2,19-10(17)18)6-7-3-4-8(16)5-9(7)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18)
InChIKeyZVAQHQFXVSMWQJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.70
Rot. Bonds3

About [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 118947556) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID118947556
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(N)cc1C(F)(F)F)OC(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-11(2,19-10(17)18)6-7-3-4-8(16)5-9(7)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18)
InChIKeyZVAQHQFXVSMWQJ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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 [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (CID 118947556) is [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(N)cc1C(F)(F)F)OC(N)=O.
What is the InChIKey of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is ZVAQHQFXVSMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2,19-10(17)18)6-7-3-4-8(16)5-9(7)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18).
What are the key properties of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 276.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 118947556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).