1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane

C22H33F3Si — CID 18396371

IUPAC1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane
SMILESCCC[SiH]1CCC(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H33F3Si/c1-2-11-26-12-9-19(10-13-26)18-7-5-16(6-8-18)3-4-17-14-20(23)22(25)21(24)15-17/h14-16,18-19,26H,2-13H2,1H3
InChIKeyBQCGTWBMCDCQCE-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.89
Rot. Bonds6

About 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane

1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane (PubChem CID 18396371) has the molecular formula C22H33F3Si and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane.

Molecular Properties

Compound Name1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane
PubChem CID18396371
Molecular FormulaC22H33F3Si
Molecular Weight382.59 g/mol
Exact Mass382.23
IUPAC Name1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane
SMILESCCC[SiH]1CCC(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H33F3Si/c1-2-11-26-12-9-19(10-13-26)18-7-5-16(6-8-18)3-4-17-14-20(23)22(25)21(24)15-17/h14-16,18-19,26H,2-13H2,1H3
InChIKeyBQCGTWBMCDCQCE-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.89
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

Benzene, 2,3-difluoro-1-methyl-4-((trans,trans)-4'-propyl(1,1'-bicyclohexyl)-4-yl)-
CID 22184032
Benzene, 1-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-2,3-difluoro-4-methyl-
CID 22184030
1~4~-Ethyl-3~3~,3~4~-difluoro-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 550421
1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 578934
1-Fluoro-4-(4-heptylcyclohexyl)benzene
CID 578935
1-Fluoro-4-(4-pentylcyclohexyl)benzene
CID 578937
3~3~,3~4~-Difluoro-1~4~-propyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 581325
3~3~,3~4~-Difluoro-1~4~-pentyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 581521
1,2-Difluoro-4-(4-heptylcyclohexyl)benzene
CID 587773
1,2-Difluoro-4-(trans-4-(2-(trans-4-pentylcyclohexyl)ethyl)cyclohexyl)benzene
CID 587774
trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
CID 11772113
1,2,3-Trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 19818221

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane?
The IUPAC name of 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane (CID 18396371) is 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane.
What is the SMILES notation for 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane?
The canonical SMILES for 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane is CCC[SiH]1CCC(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane?
The InChIKey is BQCGTWBMCDCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3Si/c1-2-11-26-12-9-19(10-13-26)18-7-5-16(6-8-18)3-4-17-14-20(23)22(25)21(24)15-17/h14-16,18-19,26H,2-13H2,1H3.
What are the key properties of 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane?
1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane has a molecular weight of 382.59 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]silinane is sourced from PubChem (CID 18396371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).