[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate

C20H14F12O4 — CID 15729336

IUPAC[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(C(OC(=O)C(=C)C)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H14F12O4/c1-9(2)13(33)35-15(17(21,22)23,18(24,25)26)11-5-7-12(8-6-11)16(19(27,28)29,20(30,31)32)36-14(34)10(3)4/h5-8H,1,3H2,2,4H3
InChIKeyQRGMBMWEDOABAD-UHFFFAOYSA-N
MW546.30 g/mol
LogP6.57
Rot. Bonds6

About [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate

[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate (PubChem CID 15729336) has the molecular formula C20H14F12O4 and a molecular weight of 546.30 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate
PubChem CID15729336
Molecular FormulaC20H14F12O4
Molecular Weight546.30 g/mol
Exact Mass546.07
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(C(OC(=O)C(=C)C)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H14F12O4/c1-9(2)13(33)35-15(17(21,22)23,18(24,25)26)11-5-7-12(8-6-11)16(19(27,28)29,20(30,31)32)36-14(34)10(3)4/h5-8H,1,3H2,2,4H3
InChIKeyQRGMBMWEDOABAD-UHFFFAOYSA-N
XLogP6.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.30
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate (CID 15729336) is [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccc(C(OC(=O)C(=C)C)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate?
The InChIKey is QRGMBMWEDOABAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F12O4/c1-9(2)13(33)35-15(17(21,22)23,18(24,25)26)11-5-7-12(8-6-11)16(19(27,28)29,20(30,31)32)36-14(34)10(3)4/h5-8H,1,3H2,2,4H3.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate?
[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate has a molecular weight of 546.30 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 15729336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).