4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane

C26H42F2OSi — CID 54226903

IUPAC4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OCC(F)F)cc3)CC2)CC1
InChIInChI=1S/C26H42F2OSi/c1-2-17-30-18-15-24(16-19-30)23-11-7-21(8-12-23)5-3-4-6-22-9-13-25(14-10-22)29-20-26(27)28/h9-10,13-14,21,23-24,26,30H,2-8,11-12,15-20H2,1H3
InChIKeyQGMCLIMWXAGQBS-UHFFFAOYSA-N
MW436.70 g/mol
LogP7.90
Rot. Bonds11

About 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane

4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane (PubChem CID 54226903) has the molecular formula C26H42F2OSi and a molecular weight of 436.70 g/mol. Its IUPAC name is 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
PubChem CID54226903
Molecular FormulaC26H42F2OSi
Molecular Weight436.70 g/mol
Exact Mass436.30
IUPAC Name4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OCC(F)F)cc3)CC2)CC1
InChIInChI=1S/C26H42F2OSi/c1-2-17-30-18-15-24(16-19-30)23-11-7-21(8-12-23)5-3-4-6-22-9-13-25(14-10-22)29-20-26(27)28/h9-10,13-14,21,23-24,26,30H,2-8,11-12,15-20H2,1H3
InChIKeyQGMCLIMWXAGQBS-UHFFFAOYSA-N
XLogP7.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.70
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-[4-(2-fluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54304468
1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
CID 54323999
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
CID 54194428
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
CID 54164040
4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
1-butyl-4-[2-[4-[(4-pentylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933654

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane?
The IUPAC name of 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane (CID 54226903) is 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane.
What is the SMILES notation for 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane?
The canonical SMILES for 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane is CCC[SiH]1CCC(C2CCC(CCCCc3ccc(OCC(F)F)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane?
The InChIKey is QGMCLIMWXAGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F2OSi/c1-2-17-30-18-15-24(16-19-30)23-11-7-21(8-12-23)5-3-4-6-22-9-13-25(14-10-22)29-20-26(27)28/h9-10,13-14,21,23-24,26,30H,2-8,11-12,15-20H2,1H3.
What are the key properties of 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane?
4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane has a molecular weight of 436.70 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane is sourced from PubChem (CID 54226903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).