6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene

C20H10F4 — CID 139846771

IUPAC6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene
SMILESC=Cc1cc(F)c(C#Cc2ccc3c(F)c(F)ccc3c2)c(F)c1
InChIInChI=1S/C20H10F4/c1-2-12-10-18(22)16(19(23)11-12)7-4-13-3-6-15-14(9-13)5-8-17(21)20(15)24/h2-3,5-6,8-11H,1H2
InChIKeyWMEOKFLRWKNPKS-UHFFFAOYSA-N
MW326.29 g/mol
LogP5.44
Rot. Bonds1

About 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene

6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene (PubChem CID 139846771) has the molecular formula C20H10F4 and a molecular weight of 326.29 g/mol. Its IUPAC name is 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene.

Molecular Properties

Compound Name6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene
PubChem CID139846771
Molecular FormulaC20H10F4
Molecular Weight326.29 g/mol
Exact Mass326.07
IUPAC Name6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene
SMILESC=Cc1cc(F)c(C#Cc2ccc3c(F)c(F)ccc3c2)c(F)c1
InChIInChI=1S/C20H10F4/c1-2-12-10-18(22)16(19(23)11-12)7-4-13-3-6-15-14(9-13)5-8-17(21)20(15)24/h2-3,5-6,8-11H,1H2
InChIKeyWMEOKFLRWKNPKS-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene
CID 71402744
6-[2-[4-[2-(4-but-3-enylphenyl)ethyl]-2,6-difluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139858190
6-[2-[4-[2-(2,6-difluoro-4-prop-2-enoxyphenyl)ethynyl]-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139859097
6-[2-[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139859598
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-prop-2-enyl-1,3-dioxane
CID 139857340
6-[2-(4-ethoxy-2,3,5,6-tetrafluorophenyl)ethynyl]-1,2-difluoronaphthalene
CID 139853793
5-but-3-enyl-2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]pyridine
CID 139857993
6-[2-(4-but-3-enyl-2-fluorophenyl)ethynyl]-1,2-difluoronaphthalene
CID 139847113
2-[2-[4-(difluoromethoxy)phenyl]ethynyl]-5-ethenyl-1,3-difluorobenzene
CID 71402760
6-[2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139858345
1,2-difluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethynyl]naphthalene
CID 139857984
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]ethyl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139858547

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene?
The IUPAC name of 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene (CID 139846771) is 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene.
What is the SMILES notation for 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene?
The canonical SMILES for 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene is C=Cc1cc(F)c(C#Cc2ccc3c(F)c(F)ccc3c2)c(F)c1.
What is the InChIKey of 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene?
The InChIKey is WMEOKFLRWKNPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4/c1-2-12-10-18(22)16(19(23)11-12)7-4-13-3-6-15-14(9-13)5-8-17(21)20(15)24/h2-3,5-6,8-11H,1H2.
What are the key properties of 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene?
6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene has a molecular weight of 326.29 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene is sourced from PubChem (CID 139846771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).