4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane

C28H38F2Si — CID 54727604

IUPAC4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C28H38F2Si/c1-2-3-4-17-31-18-15-25(16-19-31)23-7-5-21(6-8-23)22-9-11-24(12-10-22)26-13-14-27(29)28(30)20-26/h9-14,20-21,23,25,31H,2-8,15-19H2,1H3
InChIKeyCDQMWYKOTHEAOC-UHFFFAOYSA-N
MW440.69 g/mol
LogP8.73
Rot. Bonds7

About 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane

4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane (PubChem CID 54727604) has the molecular formula C28H38F2Si and a molecular weight of 440.69 g/mol. Its IUPAC name is 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
PubChem CID54727604
Molecular FormulaC28H38F2Si
Molecular Weight440.69 g/mol
Exact Mass440.27
IUPAC Name4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C28H38F2Si/c1-2-3-4-17-31-18-15-25(16-19-31)23-7-5-21(6-8-23)22-9-11-24(12-10-22)26-13-14-27(29)28(30)20-26/h9-14,20-21,23,25,31H,2-8,15-19H2,1H3
InChIKeyCDQMWYKOTHEAOC-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.69
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane
CID 54735927
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732
CID 22924523
CID 22924523
4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
CID 54334262
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane (CID 54727604) is 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane is CCCCC[SiH]1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane?
The InChIKey is CDQMWYKOTHEAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F2Si/c1-2-3-4-17-31-18-15-25(16-19-31)23-7-5-21(6-8-23)22-9-11-24(12-10-22)26-13-14-27(29)28(30)20-26/h9-14,20-21,23,25,31H,2-8,15-19H2,1H3.
What are the key properties of 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane?
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane has a molecular weight of 440.69 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane is sourced from PubChem (CID 54727604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).