2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate

C9H14F3NO3 — CID 103340505

IUPAC2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCOC)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-4-13(5-6-15-2)8(14)16-7-9(10,11)12/h3H,1,4-7H2,2H3
InChIKeyDZJDHRROAJVAFI-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.82
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate

2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate (PubChem CID 103340505) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
PubChem CID103340505
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCOC)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-4-13(5-6-15-2)8(14)16-7-9(10,11)12/h3H,1,4-7H2,2H3
InChIKeyDZJDHRROAJVAFI-UHFFFAOYSA-N
XLogP1.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, diallyl-, ethyl ester
CID 143741
[2-Oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate
CID 88706113
2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate
CID 60705887
2,2,2-trifluoroethyl N-propan-2-yl-N-prop-2-enylcarbamate
CID 61068828
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
CID 78983348
2,2,2-trifluoroethyl N-prop-2-enyl-N-propylcarbamate
CID 81818578
2,2,2-trifluoroethyl N-methyl-N-prop-2-enylcarbamate
CID 81818647
2,2,2-trifluoroethyl N-tert-butyl-N-prop-2-enylcarbamate
CID 81818697
2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103340510
Ethyl 2-[(2,2-difluoroacetyl)-prop-2-enylamino]acetate
CID 103514370
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
Ethyl 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 115538850

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate (CID 103340505) is 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate is C=CCN(CCOC)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
The InChIKey is DZJDHRROAJVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-3-4-13(5-6-15-2)8(14)16-7-9(10,11)12/h3H,1,4-7H2,2H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate has a molecular weight of 241.21 g/mol, XLogP of 1.82, 6 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-(2-methoxyethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 103340505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).