2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene

C27H21F — CID 139858897

IUPAC2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
SMILESCCCc1ccc(-c2ccc(C#Cc3ccc4cc(F)ccc4c3)cc2)cc1
InChIInChI=1S/C27H21F/c1-2-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26-19-27(28)17-16-25(26)18-22/h6-19H,2-3H2,1H3
InChIKeyXKIUPOOMKZWGFJ-UHFFFAOYSA-N
MW364.46 g/mol
LogP7.00
Rot. Bonds3

About 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene

2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene (PubChem CID 139858897) has the molecular formula C27H21F and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
PubChem CID139858897
Molecular FormulaC27H21F
Molecular Weight364.46 g/mol
Exact Mass364.16
IUPAC Name2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
SMILESCCCc1ccc(-c2ccc(C#Cc3ccc4cc(F)ccc4c3)cc2)cc1
InChIInChI=1S/C27H21F/c1-2-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26-19-27(28)17-16-25(26)18-22/h6-19H,2-3H2,1H3
InChIKeyXKIUPOOMKZWGFJ-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethynyl]-6-fluoronaphthalene
CID 139857816
2-[2-[4-(4-butylphenyl)-2-fluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139858681
2-[2-(4-fluorophenyl)ethynyl]-7-propylphenanthrene
CID 22044919
2-propoxy-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 19912404
2-butyl-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 19912364
2-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139857543
2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine
CID 139857066
6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876912
2-fluoro-6-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139856901
2-fluoro-6-[2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857665
5-ethyl-2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139858298
1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139877196

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene?
The IUPAC name of 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene (CID 139858897) is 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene.
What is the SMILES notation for 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene?
The canonical SMILES for 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene is CCCc1ccc(-c2ccc(C#Cc3ccc4cc(F)ccc4c3)cc2)cc1.
What is the InChIKey of 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene?
The InChIKey is XKIUPOOMKZWGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F/c1-2-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26-19-27(28)17-16-25(26)18-22/h6-19H,2-3H2,1H3.
What are the key properties of 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene?
2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene has a molecular weight of 364.46 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene is sourced from PubChem (CID 139858897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).