1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene

C21H14F2 — CID 142261528

IUPAC1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene
SMILESFc1ccc(C#Cc2cccc(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H14F2/c22-20-10-6-16(7-11-20)4-5-17-2-1-3-19(14-17)15-18-8-12-21(23)13-9-18/h1-3,6-14H,15H2
InChIKeyDEYAGYQFUATMDY-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.96
Rot. Bonds2

About 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene

1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene (PubChem CID 142261528) has the molecular formula C21H14F2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene
PubChem CID142261528
Molecular FormulaC21H14F2
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene
SMILESFc1ccc(C#Cc2cccc(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H14F2/c22-20-10-6-16(7-11-20)4-5-17-2-1-3-19(14-17)15-18-8-12-21(23)13-9-18/h1-3,6-14H,15H2
InChIKeyDEYAGYQFUATMDY-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene 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

1-benzyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 159007625
1,4-bis[[4-(2-phenylethynyl)phenyl]methyl]benzene
CID 101132302
3-[(4-fluorophenyl)methyl]benzenethiol
CID 71774241
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene
CID 135037434
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
CID 14461233
3-[[4-(iodomethyl)phenyl]methyl]benzonitrile
CID 57438401
1-chloro-4-[2-(3-ethylphenyl)ethynyl]benzene
CID 174446619
1-ethyl-3-[2-(4-prop-2-enylphenyl)ethynyl]benzene
CID 174448670
2-benzyl-7-fluoronaphthalene
CID 54552488
1,4-dimethyl-2,5-bis[[4-(2-phenylethynyl)phenyl]methyl]benzene
CID 101132301
2-[3-(2-phenylethynyl)phenyl]acetic acid
CID 69085566

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene (CID 142261528) is 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene is Fc1ccc(C#Cc2cccc(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene?
The InChIKey is DEYAGYQFUATMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2/c22-20-10-6-16(7-11-20)4-5-17-2-1-3-19(14-17)15-18-8-12-21(23)13-9-18/h1-3,6-14H,15H2.
What are the key properties of 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene?
1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene has a molecular weight of 304.34 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene is sourced from PubChem (CID 142261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).