1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene

C23H27F — CID 22123950

IUPAC1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
SMILESCCC/C=C/c1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C23H27F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h4-13,22-23H,2-3,14-17H2,1H3/b5-4+
InChIKeyTXPFYQQSUZMKKV-SNAWJCMRSA-N
MW322.47 g/mol
LogP7.16
Rot. Bonds5

About 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene

1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene (PubChem CID 22123950) has the molecular formula C23H27F and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
PubChem CID22123950
Molecular FormulaC23H27F
Molecular Weight322.47 g/mol
Exact Mass322.21
IUPAC Name1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
SMILESCCC/C=C/c1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C23H27F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h4-13,22-23H,2-3,14-17H2,1H3/b5-4+
InChIKeyTXPFYQQSUZMKKV-SNAWJCMRSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
CID 22123888
1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene
CID 139729983
1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene
CID 22123874
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
2,3-difluoro-1-[4-(4-fluorocyclohexyl)phenyl]-4-[(E)-undec-1-enyl]benzene
CID 22123923
1-ethenyl-4-(4-pent-1-enylphenyl)benzene
CID 139623401
4-(4-methylcyclohexyl)-2-(4-pent-1-enylphenyl)benzoic acid
CID 54471234
2-fluoro-1-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]-4-[(E)-undec-1-enyl]benzene
CID 139730064
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
CID 54292273
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene
CID 70184930

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene?
The IUPAC name of 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene (CID 22123950) is 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene?
The canonical SMILES for 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene is CCC/C=C/c1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene?
The InChIKey is TXPFYQQSUZMKKV-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H27F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h4-13,22-23H,2-3,14-17H2,1H3/b5-4+.
What are the key properties of 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene?
1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene has a molecular weight of 322.47 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene is sourced from PubChem (CID 22123950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).