1,2,2-trifluoroethyl N,N-dimethylcarbamate

C5H8F3NO2 — CID 118690247

IUPAC1,2,2-trifluoroethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC(F)C(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2)5(10)11-4(8)3(6)7/h3-4H,1-2H3
InChIKeyWYRUXHXVKKYMFO-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.25
Rot. Bonds2

About 1,2,2-trifluoroethyl N,N-dimethylcarbamate

1,2,2-trifluoroethyl N,N-dimethylcarbamate (PubChem CID 118690247) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 1,2,2-trifluoroethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1,2,2-trifluoroethyl N,N-dimethylcarbamate
PubChem CID118690247
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name1,2,2-trifluoroethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC(F)C(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2)5(10)11-4(8)3(6)7/h3-4H,1-2H3
InChIKeyWYRUXHXVKKYMFO-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethyl N,N-dimethylcarbamate?
The IUPAC name of 1,2,2-trifluoroethyl N,N-dimethylcarbamate (CID 118690247) is 1,2,2-trifluoroethyl N,N-dimethylcarbamate.
What is the SMILES notation for 1,2,2-trifluoroethyl N,N-dimethylcarbamate?
The canonical SMILES for 1,2,2-trifluoroethyl N,N-dimethylcarbamate is CN(C)C(=O)OC(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethyl N,N-dimethylcarbamate?
The InChIKey is WYRUXHXVKKYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(2)5(10)11-4(8)3(6)7/h3-4H,1-2H3.
What are the key properties of 1,2,2-trifluoroethyl N,N-dimethylcarbamate?
1,2,2-trifluoroethyl N,N-dimethylcarbamate has a molecular weight of 171.12 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethyl N,N-dimethylcarbamate is sourced from PubChem (CID 118690247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).