1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene

C22H27F — CID 54306831

IUPAC1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene
SMILESCCCCCC=C(F)c1ccc(-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H27F/c1-3-5-6-7-9-22(23)21-16-14-20(15-17-21)19-12-10-18(8-4-2)11-13-19/h9-17H,3-8H2,1-2H3
InChIKeySICVGLXYGYFMRA-UHFFFAOYSA-N
MW310.46 g/mol
LogP7.20
Rot. Bonds8

About 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene

1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene (PubChem CID 54306831) has the molecular formula C22H27F and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene
PubChem CID54306831
Molecular FormulaC22H27F
Molecular Weight310.46 g/mol
Exact Mass310.21
IUPAC Name1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene
SMILESCCCCCC=C(F)c1ccc(-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H27F/c1-3-5-6-7-9-22(23)21-16-14-20(15-17-21)19-12-10-18(8-4-2)11-13-19/h9-17H,3-8H2,1-2H3
InChIKeySICVGLXYGYFMRA-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 57.20
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-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-(4,4-difluorobut-3-enyl)-4-(4-nonylphenyl)benzene
CID 19842723
1-(4-decylphenyl)-2,3-difluoro-4-[(E)-1-fluoronon-1-enyl]benzene
CID 70027206
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1,2-difluoro-4-[3-[4-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene
CID 70028022
1-(3,3-difluoroprop-2-enyl)-4-(4-octylphenyl)benzene
CID 19842694
1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene
CID 123410663
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 70184913
1-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123987060

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene?
The IUPAC name of 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene (CID 54306831) is 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene is CCCCCC=C(F)c1ccc(-c2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene?
The InChIKey is SICVGLXYGYFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F/c1-3-5-6-7-9-22(23)21-16-14-20(15-17-21)19-12-10-18(8-4-2)11-13-19/h9-17H,3-8H2,1-2H3.
What are the key properties of 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene?
1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene has a molecular weight of 310.46 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorohept-1-enyl)-4-(4-propylphenyl)benzene is sourced from PubChem (CID 54306831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).