4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane

C23H36F2OSi — CID 67579549

IUPAC4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
SMILESCOCCC[SiH]1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H36F2OSi/c1-26-13-2-14-27-15-11-19(12-16-27)4-3-18-5-7-20(8-6-18)21-9-10-22(24)23(25)17-21/h9-10,17-20,27H,2-8,11-16H2,1H3
InChIKeyKQLQTVQAEHNCFI-UHFFFAOYSA-N
MW394.62 g/mol
LogP6.69
Rot. Bonds8

About 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane

4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane (PubChem CID 67579549) has the molecular formula C23H36F2OSi and a molecular weight of 394.62 g/mol. Its IUPAC name is 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane.

Molecular Properties

Compound Name4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
PubChem CID67579549
Molecular FormulaC23H36F2OSi
Molecular Weight394.62 g/mol
Exact Mass394.25
IUPAC Name4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
SMILESCOCCC[SiH]1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H36F2OSi/c1-26-13-2-14-27-15-11-19(12-16-27)4-3-18-5-7-20(8-6-18)21-9-10-22(24)23(25)17-21/h9-10,17-20,27H,2-8,11-16H2,1H3
InChIKeyKQLQTVQAEHNCFI-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.62
LogP ≤ 56.69
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-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 54541634
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
CID 54736791
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium
CID 163819599
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54458471
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
The IUPAC name of 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane (CID 67579549) is 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane.
What is the SMILES notation for 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
The canonical SMILES for 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane is COCCC[SiH]1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
The InChIKey is KQLQTVQAEHNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F2OSi/c1-26-13-2-14-27-15-11-19(12-16-27)4-3-18-5-7-20(8-6-18)21-9-10-22(24)23(25)17-21/h9-10,17-20,27H,2-8,11-16H2,1H3.
What are the key properties of 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane has a molecular weight of 394.62 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane is sourced from PubChem (CID 67579549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).