1,2-diethynyl-3,4,5,6-tetrafluorobenzene

C10H2F4 — CID 10856433

IUPAC1,2-diethynyl-3,4,5,6-tetrafluorobenzene
SMILESC#Cc1c(F)c(F)c(F)c(F)c1C#C
InChIInChI=1S/C10H2F4/c1-3-5-6(4-2)8(12)10(14)9(13)7(5)11/h1-2H
InChIKeyCSJUMDGEHNZLIE-UHFFFAOYSA-N
MW198.12 g/mol
LogP2.21
Rot. Bonds

About 1,2-diethynyl-3,4,5,6-tetrafluorobenzene

1,2-diethynyl-3,4,5,6-tetrafluorobenzene (PubChem CID 10856433) has the molecular formula C10H2F4 and a molecular weight of 198.12 g/mol. Its IUPAC name is 1,2-diethynyl-3,4,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,2-diethynyl-3,4,5,6-tetrafluorobenzene
PubChem CID10856433
Molecular FormulaC10H2F4
Molecular Weight198.12 g/mol
Exact Mass198.01
IUPAC Name1,2-diethynyl-3,4,5,6-tetrafluorobenzene
SMILESC#Cc1c(F)c(F)c(F)c(F)c1C#C
InChIInChI=1S/C10H2F4/c1-3-5-6(4-2)8(12)10(14)9(13)7(5)11/h1-2H
InChIKeyCSJUMDGEHNZLIE-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethynyl-3,4,5,6-tetrafluorobenzene?
The IUPAC name of 1,2-diethynyl-3,4,5,6-tetrafluorobenzene (CID 10856433) is 1,2-diethynyl-3,4,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,2-diethynyl-3,4,5,6-tetrafluorobenzene?
The canonical SMILES for 1,2-diethynyl-3,4,5,6-tetrafluorobenzene is C#Cc1c(F)c(F)c(F)c(F)c1C#C.
What is the InChIKey of 1,2-diethynyl-3,4,5,6-tetrafluorobenzene?
The InChIKey is CSJUMDGEHNZLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F4/c1-3-5-6(4-2)8(12)10(14)9(13)7(5)11/h1-2H.
What are the key properties of 1,2-diethynyl-3,4,5,6-tetrafluorobenzene?
1,2-diethynyl-3,4,5,6-tetrafluorobenzene has a molecular weight of 198.12 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynyl-3,4,5,6-tetrafluorobenzene is sourced from PubChem (CID 10856433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).