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

C28H35F5Si — CID 54458471

IUPAC4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C28H35F5Si/c1-2-11-34-12-9-19(10-13-34)4-3-18-5-7-20(8-6-18)21-14-23(29)27(24(30)15-21)22-16-25(31)28(33)26(32)17-22/h14-20,34H,2-13H2,1H3
InChIKeyWZWZMQCZEYRUSK-UHFFFAOYSA-N
MW494.66 g/mol
LogP9.15
Rot. Bonds7

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

4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane (PubChem CID 54458471) has the molecular formula C28H35F5Si and a molecular weight of 494.66 g/mol. Its IUPAC name is 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
PubChem CID54458471
Molecular FormulaC28H35F5Si
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(CCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C28H35F5Si/c1-2-11-34-12-9-19(10-13-34)4-3-18-5-7-20(8-6-18)21-14-23(29)27(24(30)15-21)22-16-25(31)28(33)26(32)17-22/h14-20,34H,2-13H2,1H3
InChIKeyWZWZMQCZEYRUSK-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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
2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 59247704
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
1-pentyl-4-[4-[(3S,6R)-6-(3,4,5-trifluorophenyl)silinan-3-yl]butyl]silinane
CID 173330653
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
2-[2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenyl]cyclohexyl]ethyl]-5-ethyl-1,3-dioxane
CID 20656646
4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 67579549
4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
CID 54732129
5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67685950
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 122469922

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
The IUPAC name of 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane (CID 54458471) is 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane.
What is the SMILES notation for 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
The canonical SMILES for 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane is CCC[SiH]1CCC(CCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
The InChIKey is WZWZMQCZEYRUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F5Si/c1-2-11-34-12-9-19(10-13-34)4-3-18-5-7-20(8-6-18)21-14-23(29)27(24(30)15-21)22-16-25(31)28(33)26(32)17-22/h14-20,34H,2-13H2,1H3.
What are the key properties of 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane?
4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane has a molecular weight of 494.66 g/mol, XLogP of 9.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane is sourced from PubChem (CID 54458471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).