1-fluoro-4-(2-fluoroethynyl)benzene

C8H4F2 — CID 69171981

IUPAC1-fluoro-4-(2-fluoroethynyl)benzene
SMILESFC#Cc1ccc(F)cc1
InChIInChI=1S/C8H4F2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H
InChIKeyXZDCWBXAEUGFEG-UHFFFAOYSA-N
MW138.12 g/mol
LogP2.10
Rot. Bonds

About 1-fluoro-4-(2-fluoroethynyl)benzene

1-fluoro-4-(2-fluoroethynyl)benzene (PubChem CID 69171981) has the molecular formula C8H4F2 and a molecular weight of 138.12 g/mol. Its IUPAC name is 1-fluoro-4-(2-fluoroethynyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-fluoroethynyl)benzene
PubChem CID69171981
Molecular FormulaC8H4F2
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name1-fluoro-4-(2-fluoroethynyl)benzene
SMILESFC#Cc1ccc(F)cc1
InChIInChI=1S/C8H4F2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H
InChIKeyXZDCWBXAEUGFEG-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 52.10
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

1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
1-(2-chloroethynyl)-4-fluorobenzene
CID 13173798
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785
1-fluoro-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene
CID 20700580
4-(2-fluoroethynyl)benzenediazonium
CID 71424740
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
5-chloro-2-[2-(4-fluorophenyl)ethynyl]pyrimidine
CID 18987674
1-(3-chloro-3-methylbut-1-ynyl)-4-fluorobenzene
CID 130055801
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
(2R)-4-(4-fluorophenyl)but-3-yn-2-ol
CID 45090838
4-(4-fluorophenyl)but-3-yn-1-amine
CID 116641342
2-(4-fluorophenyl)ethynesulfonyl chloride
CID 117265337

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-fluoroethynyl)benzene?
The IUPAC name of 1-fluoro-4-(2-fluoroethynyl)benzene (CID 69171981) is 1-fluoro-4-(2-fluoroethynyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-fluoroethynyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-fluoroethynyl)benzene is FC#Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-fluoroethynyl)benzene?
The InChIKey is XZDCWBXAEUGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H.
What are the key properties of 1-fluoro-4-(2-fluoroethynyl)benzene?
1-fluoro-4-(2-fluoroethynyl)benzene has a molecular weight of 138.12 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-fluoroethynyl)benzene is sourced from PubChem (CID 69171981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).