dimethyl 2-fluoro-4-methylidenepentanedioate

C8H11FO4 — CID 78093129

IUPACdimethyl 2-fluoro-4-methylidenepentanedioate
SMILESC=C(CC(F)C(=O)OC)C(=O)OC
InChIInChI=1S/C8H11FO4/c1-5(7(10)12-2)4-6(9)8(11)13-3/h6H,1,4H2,2-3H3
InChIKeyCQTWUEFMMROHLP-UHFFFAOYSA-N
MW190.17 g/mol
LogP0.62
Rot. Bonds4

About dimethyl 2-fluoro-4-methylidenepentanedioate

dimethyl 2-fluoro-4-methylidenepentanedioate (PubChem CID 78093129) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is dimethyl 2-fluoro-4-methylidenepentanedioate.

Molecular Properties

Compound Namedimethyl 2-fluoro-4-methylidenepentanedioate
PubChem CID78093129
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Namedimethyl 2-fluoro-4-methylidenepentanedioate
SMILESC=C(CC(F)C(=O)OC)C(=O)OC
InChIInChI=1S/C8H11FO4/c1-5(7(10)12-2)4-6(9)8(11)13-3/h6H,1,4H2,2-3H3
InChIKeyCQTWUEFMMROHLP-UHFFFAOYSA-N
XLogP0.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2S)-2-fluoro-4-methylidenepentanedioate
CID 71512643
methyl (4S)-4-fluoro-2-methylidene-5-oxohexanoate
CID 157218390
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742
methyl 4-ethyl-2-methylidenehexanoate
CID 126640126
methyl (4S)-4-acetyloxy-5,5-difluoro-2-methylidenepentanoate
CID 10656629
dimethyl 2-fluoro-3-methylidenebutanedioate
CID 90023364
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
hydron;methyl 2-methylidenebutanoate
CID 174760127
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
3-methoxycarbonylbut-3-enoic acid
CID 4613903
4-O-ethyl 1-O-methyl 2-methylidenebutanedioate
CID 12527732

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-fluoro-4-methylidenepentanedioate?
The IUPAC name of dimethyl 2-fluoro-4-methylidenepentanedioate (CID 78093129) is dimethyl 2-fluoro-4-methylidenepentanedioate.
What is the SMILES notation for dimethyl 2-fluoro-4-methylidenepentanedioate?
The canonical SMILES for dimethyl 2-fluoro-4-methylidenepentanedioate is C=C(CC(F)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-fluoro-4-methylidenepentanedioate?
The InChIKey is CQTWUEFMMROHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO4/c1-5(7(10)12-2)4-6(9)8(11)13-3/h6H,1,4H2,2-3H3.
What are the key properties of dimethyl 2-fluoro-4-methylidenepentanedioate?
dimethyl 2-fluoro-4-methylidenepentanedioate has a molecular weight of 190.17 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-fluoro-4-methylidenepentanedioate is sourced from PubChem (CID 78093129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).