4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane

C27H42F4Si — CID 54726532

IUPAC4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(CCCCC2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C27H42F4Si/c1-2-3-6-17-32-18-15-22(16-19-32)8-5-4-7-21-9-11-23(12-10-21)24-13-14-25(26(28)20-24)27(29,30)31/h13-14,20-23,32H,2-12,15-19H2,1H3
InChIKeyZEYMJGPWBSCXIQ-UHFFFAOYSA-N
MW470.71 g/mol
LogP9.51
Rot. Bonds10

About 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane

4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane (PubChem CID 54726532) has the molecular formula C27H42F4Si and a molecular weight of 470.71 g/mol. Its IUPAC name is 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
PubChem CID54726532
Molecular FormulaC27H42F4Si
Molecular Weight470.71 g/mol
Exact Mass470.30
IUPAC Name4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(CCCCC2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C27H42F4Si/c1-2-3-6-17-32-18-15-22(16-19-32)8-5-4-7-21-9-11-23(12-10-21)24-13-14-25(26(28)20-24)27(29,30)31/h13-14,20-23,32H,2-12,15-19H2,1H3
InChIKeyZEYMJGPWBSCXIQ-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 59.51
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

CID 22913817
CID 22913817
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 139629397
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139629362
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-fluoro-4-[4-[4-(4-methylpentyl)cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19702487

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane (CID 54726532) is 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane is CCCCC[SiH]1CCC(CCCCC2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
The InChIKey is ZEYMJGPWBSCXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F4Si/c1-2-3-6-17-32-18-15-22(16-19-32)8-5-4-7-21-9-11-23(12-10-21)24-13-14-25(26(28)20-24)27(29,30)31/h13-14,20-23,32H,2-12,15-19H2,1H3.
What are the key properties of 4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane has a molecular weight of 470.71 g/mol, XLogP of 9.51, 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-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane is sourced from PubChem (CID 54726532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).