1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene

C20H22F2 — CID 14573367

IUPAC1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(C=C(F)F)cc2)cc1
InChIInChI=1S/C20H22F2/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20(21)22/h7-15H,2-6H2,1H3
InChIKeyQKOVDPSAJXHSGF-UHFFFAOYSA-N
MW300.39 g/mol
LogP6.71
Rot. Bonds7

About 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene

1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene (PubChem CID 14573367) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
PubChem CID14573367
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(C=C(F)F)cc2)cc1
InChIInChI=1S/C20H22F2/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20(21)22/h7-15H,2-6H2,1H3
InChIKeyQKOVDPSAJXHSGF-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 56.71
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-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
CID 19842694
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
[4-(2,2-difluoroethenyl)phenyl] 4-nonylbenzoate
CID 139659274
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine
CID 6139858
[4-(2,2-difluoroethenyl)phenyl] 4-pentylbenzoate
CID 139659284
1-butyl-4-nonylbenzene
CID 59545302
3-[(4-octylphenyl)methylidene]pentane-2,4-dione
CID 19104285
1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)phenyl]benzene
CID 129308082
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene (CID 14573367) is 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene is CCCCCCc1ccc(-c2ccc(C=C(F)F)cc2)cc1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene?
The InChIKey is QKOVDPSAJXHSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20(21)22/h7-15H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene?
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene has a molecular weight of 300.39 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene is sourced from PubChem (CID 14573367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).