methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate

C12H13FO4 — CID 135251332

IUPACmethyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C(C2C=C(OC)C=C2F)COC1
InChIInChI=1S/C12H13FO4/c1-15-7-3-8(11(13)4-7)9-5-17-6-10(9)12(14)16-2/h3-4,8H,5-6H2,1-2H3
InChIKeyMRYRBNLCEJLDGI-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.50
Rot. Bonds3

About methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate

methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate (PubChem CID 135251332) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate
PubChem CID135251332
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Namemethyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C(C2C=C(OC)C=C2F)COC1
InChIInChI=1S/C12H13FO4/c1-15-7-3-8(11(13)4-7)9-5-17-6-10(9)12(14)16-2/h3-4,8H,5-6H2,1-2H3
InChIKeyMRYRBNLCEJLDGI-UHFFFAOYSA-N
XLogP1.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate (CID 135251332) is methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate is COC(=O)C1=C(C2C=C(OC)C=C2F)COC1.
What is the InChIKey of methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate?
The InChIKey is MRYRBNLCEJLDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c1-15-7-3-8(11(13)4-7)9-5-17-6-10(9)12(14)16-2/h3-4,8H,5-6H2,1-2H3.
What are the key properties of methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate?
methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate has a molecular weight of 240.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 135251332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).