[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane

C21H26ClFSi — CID 137327410

IUPAC[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane
SMILESC[SiH2]C1CCC(c2ccc(CCc3ccc(Cl)c(F)c3)cc2)CC1
InChIInChI=1S/C21H26ClFSi/c1-24-19-11-9-18(10-12-19)17-7-4-15(5-8-17)2-3-16-6-13-20(22)21(23)14-16/h4-8,13-14,18-19H,2-3,9-12,24H2,1H3
InChIKeySGTQBWNKCQJSKQ-UHFFFAOYSA-N
MW360.98 g/mol
LogP5.93
Rot. Bonds5

About [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane

[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane (PubChem CID 137327410) has the molecular formula C21H26ClFSi and a molecular weight of 360.98 g/mol. Its IUPAC name is [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane.

Molecular Properties

Compound Name[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane
PubChem CID137327410
Molecular FormulaC21H26ClFSi
Molecular Weight360.98 g/mol
Exact Mass360.15
IUPAC Name[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane
SMILESC[SiH2]C1CCC(c2ccc(CCc3ccc(Cl)c(F)c3)cc2)CC1
InChIInChI=1S/C21H26ClFSi/c1-24-19-11-9-18(10-12-19)17-7-4-15(5-8-17)2-3-16-6-13-20(22)21(23)14-16/h4-8,13-14,18-19H,2-3,9-12,24H2,1H3
InChIKeySGTQBWNKCQJSKQ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.98
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
1-chloro-2-fluoro-4-[2-fluoro-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54224272
2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
1-chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)cyclohexyl]phenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344076
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
2-(4-chloro-3-fluorophenyl)ethanethiol
CID 55275777
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
CID 59280137
CID 59280137
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene
CID 22373784

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane?
The IUPAC name of [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane (CID 137327410) is [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane.
What is the SMILES notation for [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane?
The canonical SMILES for [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane is C[SiH2]C1CCC(c2ccc(CCc3ccc(Cl)c(F)c3)cc2)CC1.
What is the InChIKey of [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane?
The InChIKey is SGTQBWNKCQJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFSi/c1-24-19-11-9-18(10-12-19)17-7-4-15(5-8-17)2-3-16-6-13-20(22)21(23)14-16/h4-8,13-14,18-19H,2-3,9-12,24H2,1H3.
What are the key properties of [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane?
[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane has a molecular weight of 360.98 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane is sourced from PubChem (CID 137327410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).