4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane

C18H28F2OSi — CID 137329332

IUPAC4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane
SMILESCCOc1ccc(C2(CCCC[SiH3])CCCCC2)c(F)c1F
InChIInChI=1S/C18H28F2OSi/c1-2-21-15-9-8-14(16(19)17(15)20)18(12-6-7-13-22)10-4-3-5-11-18/h8-9H,2-7,10-13H2,1,22H3
InChIKeyMKJNOOODYYJJOK-UHFFFAOYSA-N
MW326.50 g/mol
LogP4.52
Rot. Bonds7

About 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane

4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane (PubChem CID 137329332) has the molecular formula C18H28F2OSi and a molecular weight of 326.50 g/mol. Its IUPAC name is 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane.

Molecular Properties

Compound Name4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane
PubChem CID137329332
Molecular FormulaC18H28F2OSi
Molecular Weight326.50 g/mol
Exact Mass326.19
IUPAC Name4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane
SMILESCCOc1ccc(C2(CCCC[SiH3])CCCCC2)c(F)c1F
InChIInChI=1S/C18H28F2OSi/c1-2-21-15-9-8-14(16(19)17(15)20)18(12-6-7-13-22)10-4-3-5-11-18/h8-9H,2-7,10-13H2,1,22H3
InChIKeyMKJNOOODYYJJOK-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane
CID 22878457
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
1-(2,3-difluoro-4-hexoxyphenyl)cyclohexane-1-carboxylic acid
CID 172723761
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
N-butyl-3-methyl-4-(1-pentylcyclohexyl)aniline
CID 57242984
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
(9bS)-7-ethoxy-3-(4-ethoxy-2,3-difluorophenyl)-6-fluoro-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-ol
CID 58991888
1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene
CID 70397972
1,2,3-trifluoro-5-[1-[4-(1-pentylcyclohexyl)butyl]cyclohexyl]benzene
CID 57011254
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane?
The IUPAC name of 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane (CID 137329332) is 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane.
What is the SMILES notation for 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane?
The canonical SMILES for 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane is CCOc1ccc(C2(CCCC[SiH3])CCCCC2)c(F)c1F.
What is the InChIKey of 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane?
The InChIKey is MKJNOOODYYJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2OSi/c1-2-21-15-9-8-14(16(19)17(15)20)18(12-6-7-13-22)10-4-3-5-11-18/h8-9H,2-7,10-13H2,1,22H3.
What are the key properties of 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane?
4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane has a molecular weight of 326.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane is sourced from PubChem (CID 137329332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).