ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate

C7H10F2O2 — CID 132608979

IUPACethyl (Z)-2,4-difluoro-3-methylbut-2-enoate
SMILESCCOC(=O)/C(F)=C(\C)CF
InChIInChI=1S/C7H10F2O2/c1-3-11-7(10)6(9)5(2)4-8/h3-4H2,1-2H3/b6-5-
InChIKeyZZFZHZFNDIMSTM-WAYWQWQTSA-N
MW164.15 g/mol
LogP1.76
Rot. Bonds3

About ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate

ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate (PubChem CID 132608979) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2,4-difluoro-3-methylbut-2-enoate
PubChem CID132608979
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Nameethyl (Z)-2,4-difluoro-3-methylbut-2-enoate
SMILESCCOC(=O)/C(F)=C(\C)CF
InChIInChI=1S/C7H10F2O2/c1-3-11-7(10)6(9)5(2)4-8/h3-4H2,1-2H3/b6-5-
InChIKeyZZFZHZFNDIMSTM-WAYWQWQTSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,3-difluorobut-2-enoate
CID 73190120
diethyl (E)-2-fluoro-3-propan-2-ylbut-2-enedioate
CID 11096459
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
diethyl oxalate;ethyl acetate
CID 160900883
CID 159689459
CID 159689459
ethyl (E)-2,3-difluorooct-2-enoate
CID 101074943
ethyl (E)-2-fluorobut-2-enoate
CID 15594785
CID 175995571
CID 175995571
ethyl 2-methylprop-2-enoate
CID 130475774
ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate
CID 23234092
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate?
The IUPAC name of ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate (CID 132608979) is ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate?
The canonical SMILES for ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate is CCOC(=O)/C(F)=C(\C)CF.
What is the InChIKey of ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate?
The InChIKey is ZZFZHZFNDIMSTM-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-3-11-7(10)6(9)5(2)4-8/h3-4H2,1-2H3/b6-5-.
What are the key properties of ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate?
ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate has a molecular weight of 164.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate is sourced from PubChem (CID 132608979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).