4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane

C23H35F3OSi — CID 70260076

IUPAC4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane
SMILESCCOc1ccc(C2CCC(C3CC[SiH](CCCCF)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H35F3OSi/c1-2-27-21-10-9-20(22(25)23(21)26)19-7-5-17(6-8-19)18-11-15-28(16-12-18)14-4-3-13-24/h9-10,17-19,28H,2-8,11-16H2,1H3
InChIKeyJZVDJYOQZZKDTQ-UHFFFAOYSA-N
MW412.61 g/mol
LogP7.02
Rot. Bonds8

About 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane

4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane (PubChem CID 70260076) has the molecular formula C23H35F3OSi and a molecular weight of 412.61 g/mol. Its IUPAC name is 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane.

Molecular Properties

Compound Name4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane
PubChem CID70260076
Molecular FormulaC23H35F3OSi
Molecular Weight412.61 g/mol
Exact Mass412.24
IUPAC Name4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane
SMILESCCOc1ccc(C2CCC(C3CC[SiH](CCCCF)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H35F3OSi/c1-2-27-21-10-9-20(22(25)23(21)26)19-7-5-17(6-8-19)18-11-15-28(16-12-18)14-4-3-13-24/h9-10,17-19,28H,2-8,11-16H2,1H3
InChIKeyJZVDJYOQZZKDTQ-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.61
LogP ≤ 57.02
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-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butyl]-1-propylsilinane
CID 54737115
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
CID 59346093
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]acetic acid
CID 130281438
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
1-[2,3-difluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123727793
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161445027
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-prop-1-enyloxane
CID 91046335
1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 130261604

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane?
The IUPAC name of 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane (CID 70260076) is 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane.
What is the SMILES notation for 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane?
The canonical SMILES for 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane is CCOc1ccc(C2CCC(C3CC[SiH](CCCCF)CC3)CC2)c(F)c1F.
What is the InChIKey of 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane?
The InChIKey is JZVDJYOQZZKDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F3OSi/c1-2-27-21-10-9-20(22(25)23(21)26)19-7-5-17(6-8-19)18-11-15-28(16-12-18)14-4-3-13-24/h9-10,17-19,28H,2-8,11-16H2,1H3.
What are the key properties of 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane?
4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane has a molecular weight of 412.61 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane is sourced from PubChem (CID 70260076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).