4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane

C25H37F5OSi — CID 54327159

IUPAC4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane
SMILESFCCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(OCC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C25H37F5OSi/c26-11-1-2-12-32-13-9-19(10-14-32)4-3-18-5-7-20(8-6-18)21-15-22(27)25(23(28)16-21)31-17-24(29)30/h15-16,18-20,24,32H,1-14,17H2
InChIKeySVTQTMKMZNGTTM-UHFFFAOYSA-N
MW476.65 g/mol
LogP8.05
Rot. Bonds11

About 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane

4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane (PubChem CID 54327159) has the molecular formula C25H37F5OSi and a molecular weight of 476.65 g/mol. Its IUPAC name is 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane.

Molecular Properties

Compound Name4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane
PubChem CID54327159
Molecular FormulaC25H37F5OSi
Molecular Weight476.65 g/mol
Exact Mass476.25
IUPAC Name4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane
SMILESFCCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(OCC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C25H37F5OSi/c26-11-1-2-12-32-13-9-19(10-14-32)4-3-18-5-7-20(8-6-18)21-15-22(27)25(23(28)16-21)31-17-24(29)30/h15-16,18-20,24,32H,1-14,17H2
InChIKeySVTQTMKMZNGTTM-UHFFFAOYSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 58.05
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'}

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Related Compounds

4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54452078
4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane
CID 54342369
4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 67579549
4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54458471
4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
CID 54736791
4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane
CID 54732591
1,3-difluoro-5-[4-(6-fluorohexyl)cyclohexyl]-2-methylbenzene
CID 20663462
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
CID 54732129
4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
CID 54164040
1,3-difluoro-5-[4-(7-fluoroheptyl)cyclohexyl]benzene
CID 20663479
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-[4-[(E)-hex-4-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 67589841

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane?
The IUPAC name of 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane (CID 54327159) is 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane.
What is the SMILES notation for 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane?
The canonical SMILES for 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane is FCCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(OCC(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane?
The InChIKey is SVTQTMKMZNGTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F5OSi/c26-11-1-2-12-32-13-9-19(10-14-32)4-3-18-5-7-20(8-6-18)21-15-22(27)25(23(28)16-21)31-17-24(29)30/h15-16,18-20,24,32H,1-14,17H2.
What are the key properties of 4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane?
4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane has a molecular weight of 476.65 g/mol, XLogP of 8.05, 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-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane is sourced from PubChem (CID 54327159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).