2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate

C10H10F3NO2 — CID 8891630

IUPAC2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-7-2-4-8(5-3-7)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyMCKVKWZCFNPYCE-UHFFFAOYSA-N
MW233.19 g/mol
LogP3.11
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate

2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate (PubChem CID 8891630) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate
PubChem CID8891630
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-7-2-4-8(5-3-7)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyMCKVKWZCFNPYCE-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 53.11
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-(4-methylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate (CID 8891630) is 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCC(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate?
The InChIKey is MCKVKWZCFNPYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-7-2-4-8(5-3-7)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate?
2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate has a molecular weight of 233.19 g/mol, XLogP of 3.11, 2 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-(4-methylphenyl)carbamate is sourced from PubChem (CID 8891630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).