1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene

C25H32F2 — CID 19842723

IUPAC1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene
SMILESCCCCCCCCCc1ccc(-c2ccc(CCC=C(F)F)cc2)cc1
InChIInChI=1S/C25H32F2/c1-2-3-4-5-6-7-8-10-21-13-17-23(18-14-21)24-19-15-22(16-20-24)11-9-12-25(26)27/h12-20H,2-11H2,1H3
InChIKeyYKJNFFDSZSKCIN-UHFFFAOYSA-N
MW370.53 g/mol
LogP8.36
Rot. Bonds12

About 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene

1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene (PubChem CID 19842723) has the molecular formula C25H32F2 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene.

Molecular Properties

Compound Name1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene
PubChem CID19842723
Molecular FormulaC25H32F2
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene
SMILESCCCCCCCCCc1ccc(-c2ccc(CCC=C(F)F)cc2)cc1
InChIInChI=1S/C25H32F2/c1-2-3-4-5-6-7-8-10-21-13-17-23(18-14-21)24-19-15-22(16-20-24)11-9-12-25(26)27/h12-20H,2-11H2,1H3
InChIKeyYKJNFFDSZSKCIN-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 58.36
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-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
CID 19842694
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-[(E)-4-fluorobut-3-enyl]-4-(4-pentylphenyl)benzene
CID 19798797
1-but-3-enyl-4-hexylbenzene
CID 91077567
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
[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane
CID 142376956
1-butyl-4-nonylbenzene
CID 59545302
1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene
CID 54306831

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene?
The IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene (CID 19842723) is 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene.
What is the SMILES notation for 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene?
The canonical SMILES for 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene is CCCCCCCCCc1ccc(-c2ccc(CCC=C(F)F)cc2)cc1.
What is the InChIKey of 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene?
The InChIKey is YKJNFFDSZSKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2/c1-2-3-4-5-6-7-8-10-21-13-17-23(18-14-21)24-19-15-22(16-20-24)11-9-12-25(26)27/h12-20H,2-11H2,1H3.
What are the key properties of 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene?
1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene has a molecular weight of 370.53 g/mol, XLogP of 8.36, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene is sourced from PubChem (CID 19842723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).