2-phenylethynylbenzene;hydrofluoride

C14H11F — CID 158259923

IUPAC2-phenylethynylbenzene;hydrofluoride
SMILESC(#Cc1ccccc1)c1ccccc1.F
InChIInChI=1S/C14H10.FH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h1-10H;1H
InChIKeyHXSOLLMEPPNCBV-UHFFFAOYSA-N
MW198.24 g/mol
LogP3.24
Rot. Bonds

About 2-phenylethynylbenzene;hydrofluoride

2-phenylethynylbenzene;hydrofluoride (PubChem CID 158259923) has the molecular formula C14H11F and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-phenylethynylbenzene;hydrofluoride.

Molecular Properties

Compound Name2-phenylethynylbenzene;hydrofluoride
PubChem CID158259923
Molecular FormulaC14H11F
Molecular Weight198.24 g/mol
Exact Mass198.08
IUPAC Name2-phenylethynylbenzene;hydrofluoride
SMILESC(#Cc1ccccc1)c1ccccc1.F
InChIInChI=1S/C14H10.FH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h1-10H;1H
InChIKeyHXSOLLMEPPNCBV-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 53.24
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-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenylethynylbenzene;dihydrochloride
CID 174927104
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
oxophosphanium;2-phenylethynylbenzene
CID 161111354
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
carbanide;dioxorhenium;2-phenylethynylbenzene
CID 134981110
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
2-(2-phenylethynyl)azulene
CID 139039957
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
1,2,3,4,5,6,7,8-octafluoronaphthalene;2-phenylethynylbenzene
CID 139058258

Frequently Asked Questions

What is the IUPAC name of 2-phenylethynylbenzene;hydrofluoride?
The IUPAC name of 2-phenylethynylbenzene;hydrofluoride (CID 158259923) is 2-phenylethynylbenzene;hydrofluoride.
What is the SMILES notation for 2-phenylethynylbenzene;hydrofluoride?
The canonical SMILES for 2-phenylethynylbenzene;hydrofluoride is C(#Cc1ccccc1)c1ccccc1.F.
What is the InChIKey of 2-phenylethynylbenzene;hydrofluoride?
The InChIKey is HXSOLLMEPPNCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.FH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h1-10H;1H.
What are the key properties of 2-phenylethynylbenzene;hydrofluoride?
2-phenylethynylbenzene;hydrofluoride has a molecular weight of 198.24 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethynylbenzene;hydrofluoride is sourced from PubChem (CID 158259923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).