2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate

C10H7F6NO2 — CID 39871511

IUPAC2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCC(F)(F)F
InChIInChI=1S/C10H7F6NO2/c11-9(12,13)5-19-8(18)17-7-3-1-2-6(4-7)10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyGPEOZDBOTBZPFU-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.82
Rot. Bonds2

About 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate

2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 39871511) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID39871511
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC Name2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCC(F)(F)F
InChIInChI=1S/C10H7F6NO2/c11-9(12,13)5-19-8(18)17-7-3-1-2-6(4-7)10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyGPEOZDBOTBZPFU-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate (CID 39871511) is 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate is O=C(Nc1cccc(C(F)(F)F)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is GPEOZDBOTBZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c11-9(12,13)5-19-8(18)17-7-3-1-2-6(4-7)10(14,15)16/h1-4H,5H2,(H,17,18).
What are the key properties of 2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate?
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 287.16 g/mol, XLogP of 3.82, 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-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 39871511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).