2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate

C7H12F3NO3 — CID 87169675

IUPAC2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-3-11(5-13-2)6(12)14-4-7(8,9)10/h3-5H2,1-2H3
InChIKeyADSBJVMKLYSHSH-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.61
Rot. Bonds4

About 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate

2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate (PubChem CID 87169675) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
PubChem CID87169675
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-3-11(5-13-2)6(12)14-4-7(8,9)10/h3-5H2,1-2H3
InChIKeyADSBJVMKLYSHSH-UHFFFAOYSA-N
XLogP1.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl diethylcarbamate
CID 19083
Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
Diethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 118690318
2-fluoroethyl N,N-diethylcarbamate
CID 88979858
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Diethylcarbamic acid 2,2-difluorovinyl ester
CID 10910142
2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
CID 11020115
methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 14981384
2,2,2-Trifluoroethyl dimethylcarbamate
CID 15396532
ethyl N-(2,2,2-trifluoro-1-methylethyl)-N-methylcarbamate
CID 18439257
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate (CID 87169675) is 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate is CCN(COC)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
The InChIKey is ADSBJVMKLYSHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-3-11(5-13-2)6(12)14-4-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.61, 4 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-ethyl-N-(methoxymethyl)carbamate is sourced from PubChem (CID 87169675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).