2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate

C12H14F3NO2 — CID 39871401

IUPAC2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(2)9-5-3-4-6-10(9)16-11(17)18-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyUYRORKQILIDXHF-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.92
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate

2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate (PubChem CID 39871401) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate
PubChem CID39871401
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(2)9-5-3-4-6-10(9)16-11(17)18-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyUYRORKQILIDXHF-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate (CID 39871401) is 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate is CC(C)c1ccccc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate?
The InChIKey is UYRORKQILIDXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(2)9-5-3-4-6-10(9)16-11(17)18-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate?
2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 39871401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).