4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane

C30H35F3Si — CID 54731965

IUPAC4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(c2ccc(-c3ccc(CCc4ccc(F)c(F)c4)cc3)c(F)c2)CC1
InChIInChI=1S/C30H35F3Si/c1-2-3-4-17-34-18-15-24(16-19-34)26-12-13-27(29(32)21-26)25-10-7-22(8-11-25)5-6-23-9-14-28(31)30(33)20-23/h7-14,20-21,24,34H,2-6,15-19H2,1H3
InChIKeyJZRUXEPYZSDLQC-UHFFFAOYSA-N
MW480.69 g/mol
LogP8.85
Rot. Bonds9

About 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane

4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane (PubChem CID 54731965) has the molecular formula C30H35F3Si and a molecular weight of 480.69 g/mol. Its IUPAC name is 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
PubChem CID54731965
Molecular FormulaC30H35F3Si
Molecular Weight480.69 g/mol
Exact Mass480.25
IUPAC Name4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(c2ccc(-c3ccc(CCc4ccc(F)c(F)c4)cc3)c(F)c2)CC1
InChIInChI=1S/C30H35F3Si/c1-2-3-4-17-34-18-15-24(16-19-34)26-12-13-27(29(32)21-26)25-10-7-22(8-11-25)5-6-23-9-14-28(31)30(33)20-23/h7-14,20-21,24,34H,2-6,15-19H2,1H3
InChIKeyJZRUXEPYZSDLQC-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.69
LogP ≤ 58.85
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-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
CID 54733022
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane (CID 54731965) is 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane is CCCCC[SiH]1CCC(c2ccc(-c3ccc(CCc4ccc(F)c(F)c4)cc3)c(F)c2)CC1.
What is the InChIKey of 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane?
The InChIKey is JZRUXEPYZSDLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3Si/c1-2-3-4-17-34-18-15-24(16-19-34)26-12-13-27(29(32)21-26)25-10-7-22(8-11-25)5-6-23-9-14-28(31)30(33)20-23/h7-14,20-21,24,34H,2-6,15-19H2,1H3.
What are the key properties of 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane?
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane has a molecular weight of 480.69 g/mol, XLogP of 8.85, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane is sourced from PubChem (CID 54731965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).