4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane

C24H35F5OSi — CID 54452078

IUPAC4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(OCC(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H35F5OSi/c1-2-11-31-12-9-18(10-13-31)4-3-17-5-7-19(8-6-17)20-14-21(25)23(22(26)15-20)30-16-24(27,28)29/h14-15,17-19,31H,2-13,16H2,1H3
InChIKeyWVQCBOZRTCOOPT-UHFFFAOYSA-N
MW462.62 g/mol
LogP8.01
Rot. Bonds8

About 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane

4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane (PubChem CID 54452078) has the molecular formula C24H35F5OSi and a molecular weight of 462.62 g/mol. Its IUPAC name is 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane
PubChem CID54452078
Molecular FormulaC24H35F5OSi
Molecular Weight462.62 g/mol
Exact Mass462.24
IUPAC Name4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(OCC(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H35F5OSi/c1-2-11-31-12-9-18(10-13-31)4-3-17-5-7-19(8-6-17)20-14-21(25)23(22(26)15-20)30-16-24(27,28)29/h14-15,17-19,31H,2-13,16H2,1H3
InChIKeyWVQCBOZRTCOOPT-UHFFFAOYSA-N
XLogP8.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54458471
4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane
CID 54327159
1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855248
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855660
2,6-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 20708995
2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384206
1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 67579549
4-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-2,6-difluorobenzonitrile
CID 139725215
2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 20654197
5-butyl-2-[4-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-dioxan-5-yl]butyl]-1,3-dioxane
CID 22910611

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
The IUPAC name of 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane (CID 54452078) is 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane.
What is the SMILES notation for 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
The canonical SMILES for 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane is CCC[SiH]1CCC(CCC2CCC(c3cc(F)c(OCC(F)(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
The InChIKey is WVQCBOZRTCOOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F5OSi/c1-2-11-31-12-9-18(10-13-31)4-3-17-5-7-19(8-6-17)20-14-21(25)23(22(26)15-20)30-16-24(27,28)29/h14-15,17-19,31H,2-13,16H2,1H3.
What are the key properties of 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane has a molecular weight of 462.62 g/mol, XLogP of 8.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane is sourced from PubChem (CID 54452078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).