tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate

C12H14F3NO2 — CID 11230745

IUPACtert-butyl N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyFZVYCWGVGYAURC-UHFFFAOYSA-N
MW261.24 g/mol
LogP4.05
Rot. Bonds1

About tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 11230745) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID11230745
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nametert-butyl N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyFZVYCWGVGYAURC-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate (CID 11230745) is tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is FZVYCWGVGYAURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 261.24 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 11230745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).