4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane

C28H38F2Si — CID 54734843

IUPAC4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
SMILESCCCCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C28H38F2Si/c1-2-3-4-5-21-6-13-26(14-7-21)31-18-16-24(17-19-31)22-8-10-23(11-9-22)25-12-15-27(29)28(30)20-25/h8-12,15,20-21,24,26,31H,2-7,13-14,16-19H2,1H3
InChIKeyCAFIAXTVVRYRCL-UHFFFAOYSA-N
MW440.69 g/mol
LogP8.88
Rot. Bonds7

About 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane

4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane (PubChem CID 54734843) has the molecular formula C28H38F2Si and a molecular weight of 440.69 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
PubChem CID54734843
Molecular FormulaC28H38F2Si
Molecular Weight440.69 g/mol
Exact Mass440.27
IUPAC Name4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
SMILESCCCCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C28H38F2Si/c1-2-3-4-5-21-6-13-26(14-7-21)31-18-16-24(17-19-31)22-8-10-23(11-9-22)25-12-15-27(29)28(30)20-25/h8-12,15,20-21,24,26,31H,2-7,13-14,16-19H2,1H3
InChIKeyCAFIAXTVVRYRCL-UHFFFAOYSA-N
XLogP8.88
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 ≤ 58.88
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-(4-chloro-3-fluorophenyl)phenyl]-1-(4-propylcyclohexyl)silinane
CID 54729316
2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
CID 54734121
1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 22089477
2-(3,4-difluorophenyl)-5-[4-(4-nonylcyclohexyl)phenyl]pyrimidine
CID 18650816
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 59328968
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane?
The IUPAC name of 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane (CID 54734843) is 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane is CCCCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane?
The InChIKey is CAFIAXTVVRYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F2Si/c1-2-3-4-5-21-6-13-26(14-7-21)31-18-16-24(17-19-31)22-8-10-23(11-9-22)25-12-15-27(29)28(30)20-25/h8-12,15,20-21,24,26,31H,2-7,13-14,16-19H2,1H3.
What are the key properties of 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane?
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane has a molecular weight of 440.69 g/mol, XLogP of 8.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane is sourced from PubChem (CID 54734843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).