(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate

C5H8F3NO3 — CID 118689302

IUPAC(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(F)(F)OF
InChIInChI=1S/C5H8F3NO3/c1-9(2)4(10)11-3-5(6,7)12-8/h3H2,1-2H3
InChIKeyKGDTWKCZCONWAP-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.18
Rot. Bonds3

About (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate

(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate (PubChem CID 118689302) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate
PubChem CID118689302
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(F)(F)OF
InChIInChI=1S/C5H8F3NO3/c1-9(2)4(10)11-3-5(6,7)12-8/h3H2,1-2H3
InChIKeyKGDTWKCZCONWAP-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate?
The IUPAC name of (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate (CID 118689302) is (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate?
The canonical SMILES for (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate is CN(C)C(=O)OCC(F)(F)OF.
What is the InChIKey of (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate?
The InChIKey is KGDTWKCZCONWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c1-9(2)4(10)11-3-5(6,7)12-8/h3H2,1-2H3.
What are the key properties of (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate?
(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate has a molecular weight of 187.12 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate is sourced from PubChem (CID 118689302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).