4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane

C23H30F6OSi — CID 54342369

IUPAC4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane
SMILESFCCCC[SiH]1CCC(C2CCC(c3cc(F)c(OC(F)=C(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H30F6OSi/c24-9-1-2-10-31-11-7-17(8-12-31)15-3-5-16(6-4-15)18-13-19(25)21(20(26)14-18)30-23(29)22(27)28/h13-17,31H,1-12H2
InChIKeyTZVSMCOVHIRPBV-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.04
Rot. Bonds8

About 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane

4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane (PubChem CID 54342369) has the molecular formula C23H30F6OSi and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane.

Molecular Properties

Compound Name4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane
PubChem CID54342369
Molecular FormulaC23H30F6OSi
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC Name4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane
SMILESFCCCC[SiH]1CCC(C2CCC(c3cc(F)c(OC(F)=C(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H30F6OSi/c24-9-1-2-10-31-11-7-17(8-12-31)15-3-5-16(6-4-15)18-13-19(25)21(20(26)14-18)30-23(29)22(27)28/h13-17,31H,1-12H2
InChIKeyTZVSMCOVHIRPBV-UHFFFAOYSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(1,2,2-trifluoroethenoxy)benzene
CID 162587787
4-[2-[4-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]cyclohexyl]ethyl]-1-(4-fluorobutyl)silinane
CID 54327159
4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane
CID 70260076
(4-fluorophenyl) 2,6-difluoro-4-(1-pentylsilinan-4-yl)benzoate
CID 54356523
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
2-[chloro(difluoro)methoxy]-5-[4-[4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-1,3-difluorobenzene
CID 18344226
4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane
CID 54732591
1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane
CID 54200175
1-[2,6-difluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenoxy]-2,2,2-trifluoroethanol
CID 20663408
4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54452078
1,3-difluoro-5-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]benzene;[2,6-difluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl] 2,2,2-trifluoroacetate;fluoro(fluoromethoxy)methane
CID 90941456
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane?
The IUPAC name of 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane (CID 54342369) is 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane.
What is the SMILES notation for 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane?
The canonical SMILES for 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane is FCCCC[SiH]1CCC(C2CCC(c3cc(F)c(OC(F)=C(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane?
The InChIKey is TZVSMCOVHIRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F6OSi/c24-9-1-2-10-31-11-7-17(8-12-31)15-3-5-16(6-4-15)18-13-19(25)21(20(26)14-18)30-23(29)22(27)28/h13-17,31H,1-12H2.
What are the key properties of 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane?
4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane has a molecular weight of 464.57 g/mol, XLogP of 8.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,5-difluoro-4-(1,2,2-trifluoroethenoxy)phenyl]cyclohexyl]-1-(4-fluorobutyl)silinane is sourced from PubChem (CID 54342369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).