2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate

C6H10F3NO3 — CID 87169830

IUPAC2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-10(4-12-2)5(11)13-3-6(7,8)9/h3-4H2,1-2H3
InChIKeyURFGAGSRGCRRPE-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.22
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate

2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate (PubChem CID 87169830) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate
PubChem CID87169830
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-10(4-12-2)5(11)13-3-6(7,8)9/h3-4H2,1-2H3
InChIKeyURFGAGSRGCRRPE-UHFFFAOYSA-N
XLogP1.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate (CID 87169830) is 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate is COCN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate?
The InChIKey is URFGAGSRGCRRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-10(4-12-2)5(11)13-3-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate?
2,2,2-trifluoroethyl N-(methoxymethyl)-N-methylcarbamate has a molecular weight of 201.14 g/mol, XLogP of 1.22, 3 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-(methoxymethyl)-N-methylcarbamate is sourced from PubChem (CID 87169830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).