ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid

C6H10F3NO4 — CID 172727391

IUPACethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)NC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO2.C2HF3O2/c1-3-7-4(6)5-2;3-2(4,5)1(6)7/h3H2,1-2H3,(H,5,6);(H,6,7)
InChIKeyHIDWTGFHAFUVCO-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.00
Rot. Bonds1

About ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid

ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid (PubChem CID 172727391) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
PubChem CID172727391
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC Nameethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)NC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO2.C2HF3O2/c1-3-7-4(6)5-2;3-2(4,5)1(6)7/h3H2,1-2H3,(H,5,6);(H,6,7)
InChIKeyHIDWTGFHAFUVCO-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid (CID 172727391) is ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid is CCOC(=O)NC.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid?
The InChIKey is HIDWTGFHAFUVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2HF3O2/c1-3-7-4(6)5-2;3-2(4,5)1(6)7/h3H2,1-2H3,(H,5,6);(H,6,7).
What are the key properties of ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid?
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid has a molecular weight of 217.14 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172727391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).