2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene

C16H8F4 — CID 71402744

IUPAC2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene
SMILESC=Cc1cc(F)c(C#Cc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C16H8F4/c1-2-10-7-14(18)12(15(19)8-10)5-3-11-4-6-13(17)16(20)9-11/h2,4,6-9H,1H2
InChIKeyBMQXKNQWECNANJ-UHFFFAOYSA-N
MW276.23 g/mol
LogP4.29
Rot. Bonds1

About 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene

2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene (PubChem CID 71402744) has the molecular formula C16H8F4 and a molecular weight of 276.23 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene
PubChem CID71402744
Molecular FormulaC16H8F4
Molecular Weight276.23 g/mol
Exact Mass276.06
IUPAC Name2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene
SMILESC=Cc1cc(F)c(C#Cc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C16H8F4/c1-2-10-7-14(18)12(15(19)8-10)5-3-11-4-6-13(17)16(20)9-11/h2,4,6-9H,1H2
InChIKeyBMQXKNQWECNANJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.29
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

6-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-1,2-difluoronaphthalene
CID 139846771
2-[2-[4-(difluoromethoxy)phenyl]ethynyl]-5-ethenyl-1,3-difluorobenzene
CID 71402760
5-but-3-enyl-2-[4-[2-(3,4-difluorophenyl)ethynyl]-3,5-difluorophenyl]-1,3-dioxane
CID 67851198
4-[2-(2,6-difluoro-4-prop-1-enylphenyl)ethynyl]-2-fluorobenzonitrile
CID 71402741
6-[2-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139857546
2-[2-(3,4-difluorophenyl)ethynyl]-1,3-difluoro-5-(4-propoxyphenyl)benzene
CID 67685723
1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene
CID 89140040
6-[2-[4-[2-(2,6-difluoro-4-prop-2-enoxyphenyl)ethynyl]-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139859097
6-[2-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858828
4-(3,3-difluoroprop-1-ynyl)-1,2-difluorobenzene
CID 172724217
4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
CID 171595464
2-[2-[4-[2-(4-but-3-enylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139858422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene?
The IUPAC name of 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene (CID 71402744) is 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene is C=Cc1cc(F)c(C#Cc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene?
The InChIKey is BMQXKNQWECNANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4/c1-2-10-7-14(18)12(15(19)8-10)5-3-11-4-6-13(17)16(20)9-11/h2,4,6-9H,1H2.
What are the key properties of 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene?
2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene has a molecular weight of 276.23 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene is sourced from PubChem (CID 71402744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).