1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

C17H9F9 — CID 10407651

IUPAC1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H9F9/c18-15(19,20)12-5-3-10(4-6-12)1-2-11-7-13(16(21,22)23)9-14(8-11)17(24,25)26/h1-9H/b2-1+
InChIKeyYWZOTDCCYHOIST-OWOJBTEDSA-N
MW384.24 g/mol
LogP6.91
Rot. Bonds2

About 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 10407651) has the molecular formula C17H9F9 and a molecular weight of 384.24 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID10407651
Molecular FormulaC17H9F9
Molecular Weight384.24 g/mol
Exact Mass384.06
IUPAC Name1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H9F9/c18-15(19,20)12-5-3-10(4-6-12)1-2-11-7-13(16(21,22)23)9-14(8-11)17(24,25)26/h1-9H/b2-1+
InChIKeyYWZOTDCCYHOIST-OWOJBTEDSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene (CID 10407651) is 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene is FC(F)(F)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is YWZOTDCCYHOIST-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H9F9/c18-15(19,20)12-5-3-10(4-6-12)1-2-11-7-13(16(21,22)23)9-14(8-11)17(24,25)26/h1-9H/b2-1+.
What are the key properties of 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 384.24 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 10407651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).