6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

C25H11F7 — CID 138458918

IUPAC6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESF/C(=C(/F)c1ccc2c(F)c(C#CC(F)(F)F)c(F)cc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H11F7/c26-21-13-18-12-17(7-8-19(18)24(29)20(21)9-10-25(30,31)32)23(28)22(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-13H/b23-22+
InChIKeyRCCHVVWPVOFXBP-GHVJWSGMSA-N
MW444.35 g/mol
LogP7.95
Rot. Bonds2

About 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (PubChem CID 138458918) has the molecular formula C25H11F7 and a molecular weight of 444.35 g/mol. Its IUPAC name is 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

Molecular Properties

Compound Name6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
PubChem CID138458918
Molecular FormulaC25H11F7
Molecular Weight444.35 g/mol
Exact Mass444.07
IUPAC Name6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESF/C(=C(/F)c1ccc2c(F)c(C#CC(F)(F)F)c(F)cc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H11F7/c26-21-13-18-12-17(7-8-19(18)24(29)20(21)9-10-25(30,31)32)23(28)22(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-13H/b23-22+
InChIKeyRCCHVVWPVOFXBP-GHVJWSGMSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.35
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The IUPAC name of 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (CID 138458918) is 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.
What is the SMILES notation for 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The canonical SMILES for 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is F/C(=C(/F)c1ccc2c(F)c(C#CC(F)(F)F)c(F)cc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The InChIKey is RCCHVVWPVOFXBP-GHVJWSGMSA-N. The full InChI is InChI=1S/C25H11F7/c26-21-13-18-12-17(7-8-19(18)24(29)20(21)9-10-25(30,31)32)23(28)22(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-13H/b23-22+.
What are the key properties of 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene has a molecular weight of 444.35 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is sourced from PubChem (CID 138458918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).