1,5-diethynyl-2,4-difluorobenzene

C10H4F2 — CID 90221145

IUPAC1,5-diethynyl-2,4-difluorobenzene
SMILESC#Cc1cc(C#C)c(F)cc1F
InChIInChI=1S/C10H4F2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h1-2,5-6H
InChIKeyANSPFDNCEYMGQL-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.93
Rot. Bonds

About 1,5-diethynyl-2,4-difluorobenzene

1,5-diethynyl-2,4-difluorobenzene (PubChem CID 90221145) has the molecular formula C10H4F2 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1,5-diethynyl-2,4-difluorobenzene.

Molecular Properties

Compound Name1,5-diethynyl-2,4-difluorobenzene
PubChem CID90221145
Molecular FormulaC10H4F2
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name1,5-diethynyl-2,4-difluorobenzene
SMILESC#Cc1cc(C#C)c(F)cc1F
InChIInChI=1S/C10H4F2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h1-2,5-6H
InChIKeyANSPFDNCEYMGQL-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethynyl-2,4-difluorobenzene?
The IUPAC name of 1,5-diethynyl-2,4-difluorobenzene (CID 90221145) is 1,5-diethynyl-2,4-difluorobenzene.
What is the SMILES notation for 1,5-diethynyl-2,4-difluorobenzene?
The canonical SMILES for 1,5-diethynyl-2,4-difluorobenzene is C#Cc1cc(C#C)c(F)cc1F.
What is the InChIKey of 1,5-diethynyl-2,4-difluorobenzene?
The InChIKey is ANSPFDNCEYMGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h1-2,5-6H.
What are the key properties of 1,5-diethynyl-2,4-difluorobenzene?
1,5-diethynyl-2,4-difluorobenzene has a molecular weight of 162.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethynyl-2,4-difluorobenzene is sourced from PubChem (CID 90221145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).