1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol

C11H8F10O — CID 58854820

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(C/C=C/C(F)(F)F)C=C(F)C1
InChIInChI=1S/C11H8F10O/c12-6-4-7(5-6,2-1-3-8(13,14)15)9(22,10(16,17)18)11(19,20)21/h1,3-4,22H,2,5H2/b3-1+
InChIKeyINFJUJGOEJDYAB-HNQUOIGGSA-N
MW346.16 g/mol
LogP4.59
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol (PubChem CID 58854820) has the molecular formula C11H8F10O and a molecular weight of 346.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol
PubChem CID58854820
Molecular FormulaC11H8F10O
Molecular Weight346.16 g/mol
Exact Mass346.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(C/C=C/C(F)(F)F)C=C(F)C1
InChIInChI=1S/C11H8F10O/c12-6-4-7(5-6,2-1-3-8(13,14)15)9(22,10(16,17)18)11(19,20)21/h1,3-4,22H,2,5H2/b3-1+
InChIKeyINFJUJGOEJDYAB-HNQUOIGGSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol (CID 58854820) is 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(C/C=C/C(F)(F)F)C=C(F)C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol?
The InChIKey is INFJUJGOEJDYAB-HNQUOIGGSA-N. The full InChI is InChI=1S/C11H8F10O/c12-6-4-7(5-6,2-1-3-8(13,14)15)9(22,10(16,17)18)11(19,20)21/h1,3-4,22H,2,5H2/b3-1+.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol has a molecular weight of 346.16 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol is sourced from PubChem (CID 58854820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).