ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate

C10H16F3NO3 — CID 82717831

IUPACethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCOC1C
InChIInChI=1S/C10H16F3NO3/c1-3-16-8(15)9(4-5-17-7(9)2)14-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyYSGYFLWVJWDREZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.25
Rot. Bonds4

About ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate

ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate (PubChem CID 82717831) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate
PubChem CID82717831
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCOC1C
InChIInChI=1S/C10H16F3NO3/c1-3-16-8(15)9(4-5-17-7(9)2)14-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyYSGYFLWVJWDREZ-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate?
The IUPAC name of ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate (CID 82717831) is ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCOC1C.
What is the InChIKey of ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate?
The InChIKey is YSGYFLWVJWDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-3-16-8(15)9(4-5-17-7(9)2)14-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate?
ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carboxylate is sourced from PubChem (CID 82717831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).