2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate

C11H12F3NO3 — CID 65173317

IUPAC2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC(F)(F)F)c(C)c1O
InChIInChI=1S/C11H12F3NO3/c1-6-3-4-8(7(2)9(6)16)15-10(17)18-5-11(12,13)14/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyALJHVRRTMNHEOH-UHFFFAOYSA-N
MW263.21 g/mol
LogP3.12
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate

2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate (PubChem CID 65173317) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate
PubChem CID65173317
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC(F)(F)F)c(C)c1O
InChIInChI=1S/C11H12F3NO3/c1-6-3-4-8(7(2)9(6)16)15-10(17)18-5-11(12,13)14/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyALJHVRRTMNHEOH-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate (CID 65173317) is 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate is Cc1ccc(NC(=O)OCC(F)(F)F)c(C)c1O.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate?
The InChIKey is ALJHVRRTMNHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-6-3-4-8(7(2)9(6)16)15-10(17)18-5-11(12,13)14/h3-4,16H,5H2,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate?
2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate has a molecular weight of 263.21 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 65173317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).