methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate

C8H13F2NO3 — CID 10822287

IUPACmethyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate
SMILESCOC(=O)CCC(F)(F)C(=O)N(C)C
InChIInChI=1S/C8H13F2NO3/c1-11(2)7(13)8(9,10)5-4-6(12)14-3/h4-5H2,1-3H3
InChIKeyJYJVKRHDWXKZCH-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.66
Rot. Bonds4

About methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate

methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate (PubChem CID 10822287) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate
PubChem CID10822287
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Namemethyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate
SMILESCOC(=O)CCC(F)(F)C(=O)N(C)C
InChIInChI=1S/C8H13F2NO3/c1-11(2)7(13)8(9,10)5-4-6(12)14-3/h4-5H2,1-3H3
InChIKeyJYJVKRHDWXKZCH-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(dimethylamino)-4-methylpentanoate
CID 166717066
methyl 4,4-difluoro-6-methylheptanoate
CID 59459061
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanoate
CID 46945110
methyl 5-bromo-4-chloro-4,5,5-trifluoropentanoate
CID 51342036
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928
methyl 4,4,6-trichlorohexanoate
CID 12778581
methyl 11,11,12,12,12-pentafluorododecanoate
CID 11324149
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
methyl acetate;methyl 4,4-dimethylpentanoate
CID 160958689
methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
methyl 3-(trifluoromethylsulfonyl)propanoate
CID 122163754
methyl 4-hydroxy-4-hydroxysulfanylpentanoate
CID 137414269

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate?
The IUPAC name of methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate (CID 10822287) is methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate.
What is the SMILES notation for methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate?
The canonical SMILES for methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate is COC(=O)CCC(F)(F)C(=O)N(C)C.
What is the InChIKey of methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate?
The InChIKey is JYJVKRHDWXKZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-11(2)7(13)8(9,10)5-4-6(12)14-3/h4-5H2,1-3H3.
What are the key properties of methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate?
methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate has a molecular weight of 209.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate is sourced from PubChem (CID 10822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).