4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane

C30H42F2Si — CID 19420002

IUPAC4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C30H42F2Si/c1-2-3-7-20-33(28-8-5-4-6-9-28)21-18-27(19-22-33)26-15-12-24(13-16-26)10-11-25-14-17-29(31)30(32)23-25/h4-6,8-9,14,17,23-24,26-27H,2-3,7,10-13,15-16,18-22H2,1H3
InChIKeyABQMRFTXNBVWBO-UHFFFAOYSA-N
MW468.75 g/mol
LogP8.66
Rot. Bonds9

About 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane

4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane (PubChem CID 19420002) has the molecular formula C30H42F2Si and a molecular weight of 468.75 g/mol. Its IUPAC name is 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane.

Molecular Properties

Compound Name4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
PubChem CID19420002
Molecular FormulaC30H42F2Si
Molecular Weight468.75 g/mol
Exact Mass468.30
IUPAC Name4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C30H42F2Si/c1-2-3-7-20-33(28-8-5-4-6-9-28)21-18-27(19-22-33)26-15-12-24(13-16-26)10-11-25-14-17-29(31)30(32)23-25/h4-6,8-9,14,17,23-24,26-27H,2-3,7,10-13,15-16,18-22H2,1H3
InChIKeyABQMRFTXNBVWBO-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 58.66
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
1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
CID 139725525
CID 54106542
CID 54106542
4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
CID 22913891
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
CID 86196860
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2-fluorobenzonitrile
CID 67894337
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267
4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
CID 23354830
2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
CID 139792196

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane?
The IUPAC name of 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane (CID 19420002) is 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane.
What is the SMILES notation for 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane?
The canonical SMILES for 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane is CCCCC[Si]1(c2ccccc2)CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane?
The InChIKey is ABQMRFTXNBVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42F2Si/c1-2-3-7-20-33(28-8-5-4-6-9-28)21-18-27(19-22-33)26-15-12-24(13-16-26)10-11-25-14-17-29(31)30(32)23-25/h4-6,8-9,14,17,23-24,26-27H,2-3,7,10-13,15-16,18-22H2,1H3.
What are the key properties of 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane?
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane has a molecular weight of 468.75 g/mol, XLogP of 8.66, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane is sourced from PubChem (CID 19420002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).