[1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene

C23H15F7O — CID 12914885

IUPAC[1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15F7O/c24-21(25,22(26,27)28)23(29,30)31-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyRKHARRDSQMWWCD-UHFFFAOYSA-N
MW440.36 g/mol
LogP7.41
Rot. Bonds6

About [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene

[1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene (PubChem CID 12914885) has the molecular formula C23H15F7O and a molecular weight of 440.36 g/mol. Its IUPAC name is [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name[1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene
PubChem CID12914885
Molecular FormulaC23H15F7O
Molecular Weight440.36 g/mol
Exact Mass440.10
IUPAC Name[1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15F7O/c24-21(25,22(26,27)28)23(29,30)31-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyRKHARRDSQMWWCD-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.36
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene?
The IUPAC name of [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene (CID 12914885) is [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene.
What is the SMILES notation for [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene?
The canonical SMILES for [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene is FC(F)(F)C(F)(F)C(F)(F)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene?
The InChIKey is RKHARRDSQMWWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7O/c24-21(25,22(26,27)28)23(29,30)31-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H.
What are the key properties of [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene?
[1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene has a molecular weight of 440.36 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,2-diphenylethenyl]benzene is sourced from PubChem (CID 12914885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).