[4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate

C13H16F3NO2 — CID 21062291

IUPAC[4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-12(2,3)17-11(18)19-8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyARXZLZVULYGYMW-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.73
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate

[4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate (PubChem CID 21062291) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate
PubChem CID21062291
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name[4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-12(2,3)17-11(18)19-8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyARXZLZVULYGYMW-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate (CID 21062291) is [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate?
The InChIKey is ARXZLZVULYGYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(2,3)17-11(18)19-8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate?
[4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate has a molecular weight of 275.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 21062291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).