[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate

C34H24F2O4 — CID 154680109

IUPAC[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc3c(c2)C(=C)c2cc(-c4ccc(OC(=O)C(=C)C)cc4F)ccc2-3)c(F)c1
InChIInChI=1S/C34H24F2O4/c1-18(2)33(37)39-23-8-12-25(31(35)16-23)21-6-10-27-28-11-7-22(15-30(28)20(5)29(27)14-21)26-13-9-24(17-32(26)36)40-34(38)19(3)4/h6-17H,1,3,5H2,2,4H3
InChIKeyIOBWQYVREHUQDV-UHFFFAOYSA-N
MW534.56 g/mol
LogP8.30
Rot. Bonds6

About [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate

[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 154680109) has the molecular formula C34H24F2O4 and a molecular weight of 534.56 g/mol. Its IUPAC name is [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate
PubChem CID154680109
Molecular FormulaC34H24F2O4
Molecular Weight534.56 g/mol
Exact Mass534.16
IUPAC Name[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc3c(c2)C(=C)c2cc(-c4ccc(OC(=O)C(=C)C)cc4F)ccc2-3)c(F)c1
InChIInChI=1S/C34H24F2O4/c1-18(2)33(37)39-23-8-12-25(31(35)16-23)21-6-10-27-28-11-7-22(15-30(28)20(5)29(27)14-21)26-13-9-24(17-32(26)36)40-34(38)19(3)4/h6-17H,1,3,5H2,2,4H3
InChIKeyIOBWQYVREHUQDV-UHFFFAOYSA-N
XLogP8.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.56
LogP ≤ 58.30
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-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;methane
CID 157390432
[4-[3-fluoro-4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727534
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296
[3-fluoro-4-[4-(2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 146620506
[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
CID 126514909
[4-[4-(2-fluoro-4-propanoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 146508311
[3-fluoro-4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2,2-dimethylpropanoate
CID 134268782
[4-[2-fluoro-4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 126595774
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
[4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 139541987
[3-fluoro-4-[2-methyl-4-[3-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 168727514

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate (CID 154680109) is [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc3c(c2)C(=C)c2cc(-c4ccc(OC(=O)C(=C)C)cc4F)ccc2-3)c(F)c1.
What is the InChIKey of [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate?
The InChIKey is IOBWQYVREHUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F2O4/c1-18(2)33(37)39-23-8-12-25(31(35)16-23)21-6-10-27-28-11-7-22(15-30(28)20(5)29(27)14-21)26-13-9-24(17-32(26)36)40-34(38)19(3)4/h6-17H,1,3,5H2,2,4H3.
What are the key properties of [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate?
[3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 534.56 g/mol, XLogP of 8.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[7-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-9-methylidenefluoren-2-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154680109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).