4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane

C21H31ClF2Si — CID 70258911

IUPAC4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane
SMILESFC(F)CCCC1CCC([SiH]2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C21H31ClF2Si/c22-19-8-6-17(7-9-19)18-12-14-25(15-13-18)20-10-4-16(5-11-20)2-1-3-21(23)24/h6-9,16,18,20-21,25H,1-5,10-15H2
InChIKeyOTTFFUJPKNCJIY-UHFFFAOYSA-N
MW385.01 g/mol
LogP7.44
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane

4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane (PubChem CID 70258911) has the molecular formula C21H31ClF2Si and a molecular weight of 385.01 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane
PubChem CID70258911
Molecular FormulaC21H31ClF2Si
Molecular Weight385.01 g/mol
Exact Mass384.19
IUPAC Name4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane
SMILESFC(F)CCCC1CCC([SiH]2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C21H31ClF2Si/c22-19-8-6-17(7-9-19)18-12-14-25(15-13-18)20-10-4-16(5-11-20)2-1-3-21(23)24/h6-9,16,18,20-21,25H,1-5,10-15H2
InChIKeyOTTFFUJPKNCJIY-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.01
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843
4-[4-(4-chloro-3-fluorophenyl)phenyl]-1-(4-propylcyclohexyl)silinane
CID 54729316
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane
CID 173310554
2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
CID 54734121
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 54541634
1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
CID 23364861
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane (CID 70258911) is 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane is FC(F)CCCC1CCC([SiH]2CCC(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane?
The InChIKey is OTTFFUJPKNCJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClF2Si/c22-19-8-6-17(7-9-19)18-12-14-25(15-13-18)20-10-4-16(5-11-20)2-1-3-21(23)24/h6-9,16,18,20-21,25H,1-5,10-15H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane?
4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane has a molecular weight of 385.01 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane is sourced from PubChem (CID 70258911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).