1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene

C31H35F — CID 58698899

IUPAC1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
SMILESC[C@@H](CC1CCC(CCc2ccc(C=Cc3ccc(F)cc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C31H35F/c1-24(30-5-3-2-4-6-30)23-29-17-15-27(16-18-29)12-11-25-7-9-26(10-8-25)13-14-28-19-21-31(32)22-20-28/h2-10,13-14,19-22,24,27,29H,11-12,15-18,23H2,1H3/t24-,27?,29?/m0/s1
InChIKeySRIVFFJZPUETAE-LVLBOJHCSA-N
MW426.62 g/mol
LogP8.93
Rot. Bonds8

About 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene

1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene (PubChem CID 58698899) has the molecular formula C31H35F and a molecular weight of 426.62 g/mol. Its IUPAC name is 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
PubChem CID58698899
Molecular FormulaC31H35F
Molecular Weight426.62 g/mol
Exact Mass426.27
IUPAC Name1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
SMILESC[C@@H](CC1CCC(CCc2ccc(C=Cc3ccc(F)cc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C31H35F/c1-24(30-5-3-2-4-6-30)23-29-17-15-27(16-18-29)12-11-25-7-9-26(10-8-25)13-14-28-19-21-31(32)22-20-28/h2-10,13-14,19-22,24,27,29H,11-12,15-18,23H2,1H3/t24-,27?,29?/m0/s1
InChIKeySRIVFFJZPUETAE-LVLBOJHCSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.62
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]benzene
CID 58699012
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
CID 58699300
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene (CID 58698899) is 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene is C[C@@H](CC1CCC(CCc2ccc(C=Cc3ccc(F)cc3)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene?
The InChIKey is SRIVFFJZPUETAE-LVLBOJHCSA-N. The full InChI is InChI=1S/C31H35F/c1-24(30-5-3-2-4-6-30)23-29-17-15-27(16-18-29)12-11-25-7-9-26(10-8-25)13-14-28-19-21-31(32)22-20-28/h2-10,13-14,19-22,24,27,29H,11-12,15-18,23H2,1H3/t24-,27?,29?/m0/s1.
What are the key properties of 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene?
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene has a molecular weight of 426.62 g/mol, XLogP of 8.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).