[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene

C17H10F8O — CID 12914884

IUPAC[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene
SMILESF/C(=C(/OC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H10F8O/c18-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)26-17(24,25)15(19,20)16(21,22)23/h1-10H/b14-13+
InChIKeyQPLFJIVQKXCCLB-BUHFOSPRSA-N
MW382.25 g/mol
LogP6.29
Rot. Bonds5

About [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene

[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene (PubChem CID 12914884) has the molecular formula C17H10F8O and a molecular weight of 382.25 g/mol. Its IUPAC name is [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene
PubChem CID12914884
Molecular FormulaC17H10F8O
Molecular Weight382.25 g/mol
Exact Mass382.06
IUPAC Name[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene
SMILESF/C(=C(/OC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H10F8O/c18-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)26-17(24,25)15(19,20)16(21,22)23/h1-10H/b14-13+
InChIKeyQPLFJIVQKXCCLB-BUHFOSPRSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 56.29
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 [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene?
The IUPAC name of [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene (CID 12914884) is [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene.
What is the SMILES notation for [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene?
The canonical SMILES for [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene is F/C(=C(/OC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene?
The InChIKey is QPLFJIVQKXCCLB-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H10F8O/c18-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)26-17(24,25)15(19,20)16(21,22)23/h1-10H/b14-13+.
What are the key properties of [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene?
[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene has a molecular weight of 382.25 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene is sourced from PubChem (CID 12914884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).