1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene

C23H28F2 — CID 19842694

IUPAC1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
SMILESCCCCCCCCc1ccc(-c2ccc(CC=C(F)F)cc2)cc1
InChIInChI=1S/C23H28F2/c1-2-3-4-5-6-7-8-19-9-14-21(15-10-19)22-16-11-20(12-17-22)13-18-23(24)25/h9-12,14-18H,2-8,13H2,1H3
InChIKeyPPDCWYHLBGSWIC-UHFFFAOYSA-N
MW342.47 g/mol
LogP7.58
Rot. Bonds10

About 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene

1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene (PubChem CID 19842694) has the molecular formula C23H28F2 and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene.

Molecular Properties

Compound Name1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
PubChem CID19842694
Molecular FormulaC23H28F2
Molecular Weight342.47 g/mol
Exact Mass342.22
IUPAC Name1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
SMILESCCCCCCCCc1ccc(-c2ccc(CC=C(F)F)cc2)cc1
InChIInChI=1S/C23H28F2/c1-2-3-4-5-6-7-8-19-9-14-21(15-10-19)22-16-11-20(12-17-22)13-18-23(24)25/h9-12,14-18H,2-8,13H2,1H3
InChIKeyPPDCWYHLBGSWIC-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene
CID 19842723
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
CID 14573367
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-pentyl-4-prop-2-enylbenzene
CID 24721930
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-nonylbenzene
CID 59545302
1-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene?
The IUPAC name of 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene (CID 19842694) is 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene.
What is the SMILES notation for 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene?
The canonical SMILES for 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene is CCCCCCCCc1ccc(-c2ccc(CC=C(F)F)cc2)cc1.
What is the InChIKey of 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene?
The InChIKey is PPDCWYHLBGSWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2/c1-2-3-4-5-6-7-8-19-9-14-21(15-10-19)22-16-11-20(12-17-22)13-18-23(24)25/h9-12,14-18H,2-8,13H2,1H3.
What are the key properties of 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene?
1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene has a molecular weight of 342.47 g/mol, XLogP of 7.58, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene is sourced from PubChem (CID 19842694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).