2,2,2-trifluoroethyl N-benzoylcarbamate

C10H8F3NO3 — CID 2297774

IUPAC2,2,2-trifluoroethyl N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)6-17-9(16)14-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15,16)
InChIKeyRKIKQWMBIXWDDC-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.12
Rot. Bonds2

About 2,2,2-trifluoroethyl N-benzoylcarbamate

2,2,2-trifluoroethyl N-benzoylcarbamate (PubChem CID 2297774) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-benzoylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-benzoylcarbamate
PubChem CID2297774
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name2,2,2-trifluoroethyl N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)6-17-9(16)14-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15,16)
InChIKeyRKIKQWMBIXWDDC-UHFFFAOYSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-benzoylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-benzoylcarbamate (CID 2297774) is 2,2,2-trifluoroethyl N-benzoylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-benzoylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-benzoylcarbamate is O=C(NC(=O)c1ccccc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-benzoylcarbamate?
The InChIKey is RKIKQWMBIXWDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)6-17-9(16)14-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-benzoylcarbamate?
2,2,2-trifluoroethyl N-benzoylcarbamate has a molecular weight of 247.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-benzoylcarbamate is sourced from PubChem (CID 2297774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).