3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene

C22H17F3 — CID 56625676

IUPAC3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene
SMILESC=CCCc1ccc(-c2c(-c3ccccc3F)ccc(F)c2F)cc1
InChIInChI=1S/C22H17F3/c1-2-3-6-15-9-11-16(12-10-15)21-18(13-14-20(24)22(21)25)17-7-4-5-8-19(17)23/h2,4-5,7-14H,1,3,6H2
InChIKeyQKZFZGVNYPOZGN-UHFFFAOYSA-N
MW338.37 g/mol
LogP6.56
Rot. Bonds5

About 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene

3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene (PubChem CID 56625676) has the molecular formula C22H17F3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene.

Molecular Properties

Compound Name3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene
PubChem CID56625676
Molecular FormulaC22H17F3
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Name3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene
SMILESC=CCCc1ccc(-c2c(-c3ccccc3F)ccc(F)c2F)cc1
InChIInChI=1S/C22H17F3/c1-2-3-6-15-9-11-16(12-10-15)21-18(13-14-20(24)22(21)25)17-7-4-5-8-19(17)23/h2,4-5,7-14H,1,3,6H2
InChIKeyQKZFZGVNYPOZGN-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-(2-fluorophenyl)-3-(4-octylphenyl)benzene
CID 54490547
3-[4-(2-fluorophenyl)phenyl]propanal
CID 57240259
5-[4-(4-but-3-enylphenyl)-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 59207606
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
2-but-3-enyl-6-[3,5-difluoro-4-[3-fluoro-4-[2-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87933948
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 145126379
5-[2-(4-but-3-enylphenyl)ethynyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
CID 139799035
4-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-1,2-difluorobenzene
CID 139799047
6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663

Frequently Asked Questions

What is the IUPAC name of 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene?
The IUPAC name of 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene (CID 56625676) is 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene.
What is the SMILES notation for 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene?
The canonical SMILES for 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene is C=CCCc1ccc(-c2c(-c3ccccc3F)ccc(F)c2F)cc1.
What is the InChIKey of 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene?
The InChIKey is QKZFZGVNYPOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3/c1-2-3-6-15-9-11-16(12-10-15)21-18(13-14-20(24)22(21)25)17-7-4-5-8-19(17)23/h2,4-5,7-14H,1,3,6H2.
What are the key properties of 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene?
3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene has a molecular weight of 338.37 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene is sourced from PubChem (CID 56625676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).