4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane

C27H43ClF2Si — CID 70184894

IUPAC4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(CCCCC2CCC(c3ccc(Cl)cc3C(F)F)CC2)CC1
InChIInChI=1S/C27H43ClF2Si/c1-2-3-6-17-31-18-15-22(16-19-31)8-5-4-7-21-9-11-23(12-10-21)25-14-13-24(28)20-26(25)27(29)30/h13-14,20-23,27,31H,2-12,15-19H2,1H3
InChIKeyLMYCCNDPAMPDSD-UHFFFAOYSA-N
MW469.18 g/mol
LogP9.94
Rot. Bonds11

About 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane

4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane (PubChem CID 70184894) has the molecular formula C27H43ClF2Si and a molecular weight of 469.18 g/mol. Its IUPAC name is 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
PubChem CID70184894
Molecular FormulaC27H43ClF2Si
Molecular Weight469.18 g/mol
Exact Mass468.28
IUPAC Name4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(CCCCC2CCC(c3ccc(Cl)cc3C(F)F)CC2)CC1
InChIInChI=1S/C27H43ClF2Si/c1-2-3-6-17-31-18-15-22(16-19-31)8-5-4-7-21-9-11-23(12-10-21)25-14-13-24(28)20-26(25)27(29)30/h13-14,20-23,27,31H,2-12,15-19H2,1H3
InChIKeyLMYCCNDPAMPDSD-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.18
LogP ≤ 59.94
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-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
4-chloro-2-(difluoromethoxy)-1-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 139947282
4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butyl]-1-propylsilinane
CID 54737115
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139779221
2-chloro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779235
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947205
1-pentyl-4-[4-[(3S,6R)-6-(3,4,5-trifluorophenyl)silinan-3-yl]butyl]silinane
CID 173330653
2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
CID 174774005

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane (CID 70184894) is 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane is CCCCC[SiH]1CCC(CCCCC2CCC(c3ccc(Cl)cc3C(F)F)CC2)CC1.
What is the InChIKey of 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
The InChIKey is LMYCCNDPAMPDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43ClF2Si/c1-2-3-6-17-31-18-15-22(16-19-31)8-5-4-7-21-9-11-23(12-10-21)25-14-13-24(28)20-26(25)27(29)30/h13-14,20-23,27,31H,2-12,15-19H2,1H3.
What are the key properties of 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane?
4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane has a molecular weight of 469.18 g/mol, XLogP of 9.94, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane is sourced from PubChem (CID 70184894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).