methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate

C11H19F2NO4 — CID 91547244

IUPACmethyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate
SMILESCCNCC1OC(F)(C(=O)OC)C(F)C(O)C1C
InChIInChI=1S/C11H19F2NO4/c1-4-14-5-7-6(2)8(15)9(12)11(13,18-7)10(16)17-3/h6-9,14-15H,4-5H2,1-3H3
InChIKeyJPNNEKRWMCOWGZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.17
Rot. Bonds4

About methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate

methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate (PubChem CID 91547244) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate
PubChem CID91547244
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Namemethyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate
SMILESCCNCC1OC(F)(C(=O)OC)C(F)C(O)C1C
InChIInChI=1S/C11H19F2NO4/c1-4-14-5-7-6(2)8(15)9(12)11(13,18-7)10(16)17-3/h6-9,14-15H,4-5H2,1-3H3
InChIKeyJPNNEKRWMCOWGZ-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate?
The IUPAC name of methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate (CID 91547244) is methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate.
What is the SMILES notation for methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate?
The canonical SMILES for methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate is CCNCC1OC(F)(C(=O)OC)C(F)C(O)C1C.
What is the InChIKey of methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate?
The InChIKey is JPNNEKRWMCOWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-4-14-5-7-6(2)8(15)9(12)11(13,18-7)10(16)17-3/h6-9,14-15H,4-5H2,1-3H3.
What are the key properties of methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate?
methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate has a molecular weight of 267.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(ethylaminomethyl)-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylate is sourced from PubChem (CID 91547244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).