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

C18H8F14O4 — CID 88604704

IUPAC[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(c1ccc(C(OC(=O)C(=C)F)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H8F14O4/c1-7(19)11(33)35-13(15(21,22)23,16(24,25)26)9-3-5-10(6-4-9)14(17(27,28)29,18(30,31)32)36-12(34)8(2)20/h3-6H,1-2H2
InChIKeyUJOPLTNZXHHJDX-UHFFFAOYSA-N
MW554.23 g/mol
LogP6.38
Rot. Bonds6

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

[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate (PubChem CID 88604704) has the molecular formula C18H8F14O4 and a molecular weight of 554.23 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate
PubChem CID88604704
Molecular FormulaC18H8F14O4
Molecular Weight554.23 g/mol
Exact Mass554.02
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(c1ccc(C(OC(=O)C(=C)F)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H8F14O4/c1-7(19)11(33)35-13(15(21,22)23,16(24,25)26)9-3-5-10(6-4-9)14(17(27,28)29,18(30,31)32)36-12(34)8(2)20/h3-6H,1-2H2
InChIKeyUJOPLTNZXHHJDX-UHFFFAOYSA-N
XLogP6.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.23
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate with MolForge

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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-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate (CID 88604704) is [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-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-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate is C=C(F)C(=O)OC(c1ccc(C(OC(=O)C(=C)F)(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-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate?
The InChIKey is UJOPLTNZXHHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F14O4/c1-7(19)11(33)35-13(15(21,22)23,16(24,25)26)9-3-5-10(6-4-9)14(17(27,28)29,18(30,31)32)36-12(34)8(2)20/h3-6H,1-2H2.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate?
[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate has a molecular weight of 554.23 g/mol, XLogP of 6.38, 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-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 88604704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).