1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene

C19H15F — CID 71345991

IUPAC1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
SMILESCCCc1ccc(C#CC#Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H15F/c1-2-5-16-8-10-17(11-9-16)6-3-4-7-18-12-14-19(20)15-13-18/h8-15H,2,5H2,1H3
InChIKeyRSWPKHSEOFVJBM-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.18
Rot. Bonds2

About 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene

1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene (PubChem CID 71345991) has the molecular formula C19H15F and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
PubChem CID71345991
Molecular FormulaC19H15F
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
SMILESCCCc1ccc(C#CC#Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H15F/c1-2-5-16-8-10-17(11-9-16)6-3-4-7-18-12-14-19(20)15-13-18/h8-15H,2,5H2,1H3
InChIKeyRSWPKHSEOFVJBM-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]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-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547
1-fluoro-4-propylbenzene
CID 2737505
1-(4-phenylbuta-1,3-diynyl)-4-propylbenzene
CID 102100558
1-octyl-4-[4-(4-octylphenyl)buta-1,3-diynyl]benzene
CID 100934504
2-[2-(4-fluorophenyl)ethynyl]-7-propylphenanthrene
CID 22044919
2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 139858897
1-[3,4-difluoro-6-(4-propylphenyl)hexa-1,5-diynyl]-4-propylbenzene
CID 67589454
1-fluoro-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene
CID 20700580
1-pentyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 19899704
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene
CID 22045484
1-[3,4-difluoro-6-(4-pentylphenyl)hex-3-en-1,5-diynyl]-4-propylbenzene
CID 54128812

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene?
The IUPAC name of 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene (CID 71345991) is 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene is CCCc1ccc(C#CC#Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene?
The InChIKey is RSWPKHSEOFVJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F/c1-2-5-16-8-10-17(11-9-16)6-3-4-7-18-12-14-19(20)15-13-18/h8-15H,2,5H2,1H3.
What are the key properties of 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene?
1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene has a molecular weight of 262.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene is sourced from PubChem (CID 71345991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).