methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate

C8H13F2NO3 — CID 103514341

IUPACmethyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-5(8(13)14-3)4-11(2)7(12)6(9)10/h5-6H,4H2,1-3H3
InChIKeyYGIYBQRVMDHMSH-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.52
Rot. Bonds4

About methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate

methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate (PubChem CID 103514341) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate
PubChem CID103514341
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Namemethyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-5(8(13)14-3)4-11(2)7(12)6(9)10/h5-6H,4H2,1-3H3
InChIKeyYGIYBQRVMDHMSH-UHFFFAOYSA-N
XLogP0.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate (CID 103514341) is methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)C(F)F.
What is the InChIKey of methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate?
The InChIKey is YGIYBQRVMDHMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-5(8(13)14-3)4-11(2)7(12)6(9)10/h5-6H,4H2,1-3H3.
What are the key properties of methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate has a molecular weight of 209.19 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 103514341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).