2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate

C6H8F3NO4 — CID 146363866

IUPAC2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
SMILESCNC(=O)OCCOC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4/c1-10-5(12)14-3-2-13-4(11)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyQMOAKARMPMHFMW-UHFFFAOYSA-N
MW215.13 g/mol
LogP0.45
Rot. Bonds3

About 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate

2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate (PubChem CID 146363866) has the molecular formula C6H8F3NO4 and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
PubChem CID146363866
Molecular FormulaC6H8F3NO4
Molecular Weight215.13 g/mol
Exact Mass215.04
IUPAC Name2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
SMILESCNC(=O)OCCOC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4/c1-10-5(12)14-3-2-13-4(11)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyQMOAKARMPMHFMW-UHFFFAOYSA-N
XLogP0.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
ethane;propyl N-methylcarbamate
CID 142560404
2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
CID 158533955

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate (CID 146363866) is 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate is CNC(=O)OCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate?
The InChIKey is QMOAKARMPMHFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4/c1-10-5(12)14-3-2-13-4(11)6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate?
2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate has a molecular weight of 215.13 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 146363866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).