2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate

C5H8F3NO3 — CID 65168309

IUPAC2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate
SMILESCON(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C5H8F3NO3/c1-9(11-2)4(10)12-3-5(6,7)8/h3H2,1-2H3
InChIKeyRUCOFPCSIYBXLS-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.18
Rot. Bonds2

About 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate

2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate (PubChem CID 65168309) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate
PubChem CID65168309
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate
SMILESCON(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C5H8F3NO3/c1-9(11-2)4(10)12-3-5(6,7)8/h3H2,1-2H3
InChIKeyRUCOFPCSIYBXLS-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl N-methoxy-N-methylcarbamate
CID 533715
2,2,2-Trifluoroethyl dimethylcarbamate
CID 15396532
2-fluoroethyl N-methoxy-N-methylcarbamate
CID 87169676
2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate
CID 87169830
1,1,2,2,3-pentafluoropropyl N-methoxy-N-methylcarbamate
CID 89644838
N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate
CID 91532427
(2,2-difluoro-2-fluorooxyethyl) N,N-dimethylcarbamate
CID 118689302
1,2,2-trifluoroethyl N,N-dimethylcarbamate
CID 118690247
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate
CID 141285830
1,1,2-trifluoroethyl N-methoxy-N-methylcarbamate
CID 142711184
1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate
CID 150877520
tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate
CID 125424506

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate (CID 65168309) is 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate is CON(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate?
The InChIKey is RUCOFPCSIYBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c1-9(11-2)4(10)12-3-5(6,7)8/h3H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate?
2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate has a molecular weight of 187.12 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methoxy-N-methylcarbamate is sourced from PubChem (CID 65168309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).