4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane

C31H35F5OSi — CID 22867214

IUPAC4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(CCc2ccc(-c3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)cc2F)CC1
InChIInChI=1S/C31H35F5OSi/c1-2-3-4-15-38-16-13-21(14-17-38)5-6-24-11-12-25(18-27(24)32)22-7-9-23(10-8-22)26-19-28(33)30(29(34)20-26)37-31(35)36/h7-12,18-21,31,38H,2-6,13-17H2,1H3
InChIKeyVULLRGIMRIWFRF-UHFFFAOYSA-N
MW546.70 g/mol
LogP9.80
Rot. Bonds11

About 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane

4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane (PubChem CID 22867214) has the molecular formula C31H35F5OSi and a molecular weight of 546.70 g/mol. Its IUPAC name is 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane
PubChem CID22867214
Molecular FormulaC31H35F5OSi
Molecular Weight546.70 g/mol
Exact Mass546.24
IUPAC Name4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(CCc2ccc(-c3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)cc2F)CC1
InChIInChI=1S/C31H35F5OSi/c1-2-3-4-15-38-16-13-21(14-17-38)5-6-24-11-12-25(18-27(24)32)22-7-9-23(10-8-22)26-19-28(33)30(29(34)20-26)37-31(35)36/h7-12,18-21,31,38H,2-6,13-17H2,1H3
InChIKeyVULLRGIMRIWFRF-UHFFFAOYSA-N
XLogP9.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.70
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 23364828
CID 23364828
[4-(difluoromethoxy)-3,5-difluorophenyl] 1-heptylsilinane-4-carboxylate
CID 54217420
4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
CID 173311068
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-(4-iodocyclohexyl)ethyl]phenyl]benzene
CID 162547419
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-[4-(difluoromethoxy)-3,5-difluorophenyl]-9-pentyl-6-silaspiro[5.5]undecane
CID 139675571
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571
3-[4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorophenyl]-6-pentoxypyridazine
CID 67787145
3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane?
The IUPAC name of 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane (CID 22867214) is 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane.
What is the SMILES notation for 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane?
The canonical SMILES for 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane is CCCCC[SiH]1CCC(CCc2ccc(-c3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)cc2F)CC1.
What is the InChIKey of 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane?
The InChIKey is VULLRGIMRIWFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F5OSi/c1-2-3-4-15-38-16-13-21(14-17-38)5-6-24-11-12-25(18-27(24)32)22-7-9-23(10-8-22)26-19-28(33)30(29(34)20-26)37-31(35)36/h7-12,18-21,31,38H,2-6,13-17H2,1H3.
What are the key properties of 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane?
4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane has a molecular weight of 546.70 g/mol, XLogP of 9.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane is sourced from PubChem (CID 22867214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).