1-[2-(3-fluorophenyl)ethynyl]naphthalene

C18H11F — CID 171990074

IUPAC1-[2-(3-fluorophenyl)ethynyl]naphthalene
SMILESFc1cccc(C#Cc2cccc3ccccc23)c1
InChIInChI=1S/C18H11F/c19-17-9-3-5-14(13-17)11-12-16-8-4-7-15-6-1-2-10-18(15)16/h1-10,13H
InChIKeyWANOQFIQZGRMKR-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.38
Rot. Bonds

About 1-[2-(3-fluorophenyl)ethynyl]naphthalene

1-[2-(3-fluorophenyl)ethynyl]naphthalene (PubChem CID 171990074) has the molecular formula C18H11F and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethynyl]naphthalene.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethynyl]naphthalene
PubChem CID171990074
Molecular FormulaC18H11F
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name1-[2-(3-fluorophenyl)ethynyl]naphthalene
SMILESFc1cccc(C#Cc2cccc3ccccc23)c1
InChIInChI=1S/C18H11F/c19-17-9-3-5-14(13-17)11-12-16-8-4-7-15-6-1-2-10-18(15)16/h1-10,13H
InChIKeyWANOQFIQZGRMKR-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.38
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

2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
2-[2-[2-(3-fluorophenyl)ethynyl]phenyl]acetonitrile
CID 141385810
2-[2-(3-fluorophenyl)ethynyl]benzoic acid
CID 101430061
3-(2-naphthalen-1-ylethynyl)pyridine
CID 18947806
5,11,13,15-tetrakis(2-naphthalen-1-ylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 122373167
1-fluoro-3-(3-fluoroprop-1-ynyl)benzene
CID 91874936
2-methoxy-1,1,3,3-tetramethyl-5-(2-naphthalen-1-ylethynyl)isoindole
CID 102478703
1-(2-phenylethynyl)-5-[5-(2-phenylethynyl)naphthalen-1-yl]naphthalene
CID 139963297
3-(2-naphthalen-1-ylethynyl)benzene-1,2-diol
CID 67420821
1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
CID 138857608
N,N-diethyl-4-(2-naphthalen-1-ylethynyl)aniline
CID 118606008
potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide
CID 135083871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethynyl]naphthalene?
The IUPAC name of 1-[2-(3-fluorophenyl)ethynyl]naphthalene (CID 171990074) is 1-[2-(3-fluorophenyl)ethynyl]naphthalene.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethynyl]naphthalene?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethynyl]naphthalene is Fc1cccc(C#Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethynyl]naphthalene?
The InChIKey is WANOQFIQZGRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F/c19-17-9-3-5-14(13-17)11-12-16-8-4-7-15-6-1-2-10-18(15)16/h1-10,13H.
What are the key properties of 1-[2-(3-fluorophenyl)ethynyl]naphthalene?
1-[2-(3-fluorophenyl)ethynyl]naphthalene has a molecular weight of 246.28 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethynyl]naphthalene is sourced from PubChem (CID 171990074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).