[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate

C20H14F2O4 — CID 67472341

IUPAC[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)Oc1ccc2c(c1)C(C)c1cc(OC(=O)C(=C)F)ccc1-2
InChIInChI=1S/C20H14F2O4/c1-10-17-8-13(25-19(23)11(2)21)4-6-15(17)16-7-5-14(9-18(10)16)26-20(24)12(3)22/h4-10H,2-3H2,1H3
InChIKeyOYQRMZCSRPZDMU-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.60
Rot. Bonds4

About [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate

[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate (PubChem CID 67472341) has the molecular formula C20H14F2O4 and a molecular weight of 356.32 g/mol. Its IUPAC name is [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate
PubChem CID67472341
Molecular FormulaC20H14F2O4
Molecular Weight356.32 g/mol
Exact Mass356.09
IUPAC Name[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)Oc1ccc2c(c1)C(C)c1cc(OC(=O)C(=C)F)ccc1-2
InChIInChI=1S/C20H14F2O4/c1-10-17-8-13(25-19(23)11(2)21)4-6-15(17)16-7-5-14(9-18(10)16)26-20(24)12(3)22/h4-10H,2-3H2,1H3
InChIKeyOYQRMZCSRPZDMU-UHFFFAOYSA-N
XLogP4.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluorene-2-carbonyl]oxybenzoic acid
CID 139408972
[4-[4-(2-fluoroprop-2-enoyloxy)butoxy]phenyl] 9-methyl-7-[2-(2-methylprop-2-enoyloxy)ethoxy]-9H-fluorene-2-carboxylate
CID 139408987
[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692784
[9-methyl-7-(2-oxobut-3-enyl)-9H-fluoren-2-yl] prop-2-enoate
CID 67472357
[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenyl] 7-[4-(2-fluoroprop-2-enoyloxy)butoxy]-9-methyl-9H-fluorene-2-carboxylate
CID 139409043
methane;[4-[3-[[9-methyl-7-[3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]propanoyloxy]-9H-fluoren-2-yl]oxy]-3-oxopropyl]phenoxy]methyl 2-methylprop-2-enoate
CID 159257520
[4-[(E)-3-[[9-methyl-7-[(E)-3-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)phenyl]prop-2-enoyl]oxy-9H-fluoren-2-yl]oxy]-3-oxoprop-1-enyl]phenoxy]carbonyloxymethyl 2-methylprop-2-enoate
CID 59221214
[4-(2-hydroxypropan-2-yl)phenyl] 2-fluoroprop-2-enoate
CID 129146398
4-O-[9-methyl-7-(4-methylbenzoyl)oxy-9H-fluoren-2-yl] 1-O-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl] benzene-1,4-dicarboxylate
CID 59221186
[7-(3,4-dimethoxybenzoyl)oxy-9-methyl-9H-fluoren-2-yl] 3-hydroxy-4-methoxybenzoate
CID 122419874
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;methane
CID 157390432

Frequently Asked Questions

What is the IUPAC name of [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate?
The IUPAC name of [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate (CID 67472341) is [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate.
What is the SMILES notation for [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate?
The canonical SMILES for [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate is C=C(F)C(=O)Oc1ccc2c(c1)C(C)c1cc(OC(=O)C(=C)F)ccc1-2.
What is the InChIKey of [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate?
The InChIKey is OYQRMZCSRPZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O4/c1-10-17-8-13(25-19(23)11(2)21)4-6-15(17)16-7-5-14(9-18(10)16)26-20(24)12(3)22/h4-10H,2-3H2,1H3.
What are the key properties of [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate?
[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate has a molecular weight of 356.32 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 67472341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).