bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate

C14H10F4O4 — CID 71338498

IUPACbis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate
SMILESC=CCOC(=O)c1c(F)c(F)c(F)c(C(=O)OCC=C)c1F
InChIInChI=1S/C14H10F4O4/c1-3-5-21-13(19)7-9(15)8(14(20)22-6-4-2)11(17)12(18)10(7)16/h3-4H,1-2,5-6H2
InChIKeyNOPODQQHEWTJOP-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.93
Rot. Bonds6

About bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate

bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate (PubChem CID 71338498) has the molecular formula C14H10F4O4 and a molecular weight of 318.22 g/mol. Its IUPAC name is bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate
PubChem CID71338498
Molecular FormulaC14H10F4O4
Molecular Weight318.22 g/mol
Exact Mass318.05
IUPAC Namebis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate
SMILESC=CCOC(=O)c1c(F)c(F)c(F)c(C(=O)OCC=C)c1F
InChIInChI=1S/C14H10F4O4/c1-3-5-21-13(19)7-9(15)8(14(20)22-6-4-2)11(17)12(18)10(7)16/h3-4H,1-2,5-6H2
InChIKeyNOPODQQHEWTJOP-UHFFFAOYSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2,3,4,5,6-pentafluorobenzoate
CID 606766
[(1E)-buta-1,3-dienyl] 2,3,4,5,6-pentafluorobenzoate
CID 172553918
pent-4-en-2-yl 2,3,4,5,6-pentafluorobenzoate
CID 86142613
2,3,4,5-tetrachloro-6-prop-2-enoxycarbonylbenzoate
CID 20504076
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
methyl 2,3,5,6-tetrafluoro-4-prop-2-enylbenzoate
CID 122214216
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate
CID 19710369
but-3-ynyl 2,3,4,5,6-pentafluorobenzoate
CID 87443592
2-(2,3,4,5,6-pentafluorobenzoyl)oxyethanesulfonic acid
CID 129061781
2,6-dimethyl-5-prop-2-enoxycarbonylpyrimidine-4-carboxylic acid
CID 42742224
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
CID 159924835
CID 159924835

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate (CID 71338498) is bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate is C=CCOC(=O)c1c(F)c(F)c(F)c(C(=O)OCC=C)c1F.
What is the InChIKey of bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate?
The InChIKey is NOPODQQHEWTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O4/c1-3-5-21-13(19)7-9(15)8(14(20)22-6-4-2)11(17)12(18)10(7)16/h3-4H,1-2,5-6H2.
What are the key properties of bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate?
bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate has a molecular weight of 318.22 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate is sourced from PubChem (CID 71338498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).