1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane

C28H37F3Si — CID 139725525

IUPAC1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C28H37F3Si/c1-2-3-7-16-32(25-8-5-4-6-9-25)17-14-23(15-18-32)21-10-12-22(13-11-21)24-19-26(29)28(31)27(30)20-24/h4-6,8-9,19-23H,2-3,7,10-18H2,1H3
InChIKeyJFARENVNFZUFCF-UHFFFAOYSA-N
MW458.68 g/mol
LogP8.33
Rot. Bonds7

About 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane

1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane (PubChem CID 139725525) has the molecular formula C28H37F3Si and a molecular weight of 458.68 g/mol. Its IUPAC name is 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane.

Molecular Properties

Compound Name1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
PubChem CID139725525
Molecular FormulaC28H37F3Si
Molecular Weight458.68 g/mol
Exact Mass458.26
IUPAC Name1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C28H37F3Si/c1-2-3-7-16-32(25-8-5-4-6-9-25)17-14-23(15-18-32)21-10-12-22(13-11-21)24-19-26(29)28(31)27(30)20-24/h4-6,8-9,19-23H,2-3,7,10-18H2,1H3
InChIKeyJFARENVNFZUFCF-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.68
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
CID 86196860
1,2,3-trifluoro-5-[4-(3-heptylcyclobutyl)cyclohexyl]benzene
CID 67789259
2-heptyl-6-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867239
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
5-nonyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxane
CID 150918398
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
CID 139792196
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726
1,2,3-trifluoro-5-[4-[4-[(E)-hex-2-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589936
1,2,3-trifluoro-5-[4-(4-hex-2-enylcyclohexyl)cyclohexyl]benzene
CID 54188231

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane?
The IUPAC name of 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane (CID 139725525) is 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane.
What is the SMILES notation for 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane?
The canonical SMILES for 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane is CCCCC[Si]1(c2ccccc2)CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane?
The InChIKey is JFARENVNFZUFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3Si/c1-2-3-7-16-32(25-8-5-4-6-9-25)17-14-23(15-18-32)21-10-12-22(13-11-21)24-19-26(29)28(31)27(30)20-24/h4-6,8-9,19-23H,2-3,7,10-18H2,1H3.
What are the key properties of 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane?
1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane has a molecular weight of 458.68 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane is sourced from PubChem (CID 139725525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).