4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane

C26H42F2Si — CID 54734202

IUPAC4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C26H42F2Si/c1-2-3-6-17-29-18-15-24(16-19-29)23-12-9-21(10-13-23)7-4-5-8-22-11-14-25(27)26(28)20-22/h11,14,20-21,23-24,29H,2-10,12-13,15-19H2,1H3
InChIKeyHHRPWAVCGBNIJL-UHFFFAOYSA-N
MW420.70 g/mol
LogP8.31
Rot. Bonds10

About 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane

4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane (PubChem CID 54734202) has the molecular formula C26H42F2Si and a molecular weight of 420.70 g/mol. Its IUPAC name is 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
PubChem CID54734202
Molecular FormulaC26H42F2Si
Molecular Weight420.70 g/mol
Exact Mass420.30
IUPAC Name4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C26H42F2Si/c1-2-3-6-17-29-18-15-24(16-19-29)23-12-9-21(10-13-23)7-4-5-8-22-11-14-25(27)26(28)20-22/h11,14,20-21,23-24,29H,2-10,12-13,15-19H2,1H3
InChIKeyHHRPWAVCGBNIJL-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.70
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
CID 54194428
1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
CID 54323999
1,2-difluoro-4-[(Z)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 67680833
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl]benzene
CID 20654014
4-[4-[4-[4-(2-fluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54304468
4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54226903
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2-fluorobenzonitrile
CID 67894337

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane (CID 54734202) is 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane is CCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane?
The InChIKey is HHRPWAVCGBNIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F2Si/c1-2-3-6-17-29-18-15-24(16-19-29)23-12-9-21(10-13-23)7-4-5-8-22-11-14-25(27)26(28)20-22/h11,14,20-21,23-24,29H,2-10,12-13,15-19H2,1H3.
What are the key properties of 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane?
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane has a molecular weight of 420.70 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane is sourced from PubChem (CID 54734202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).