4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane

C22H33ClF2Si — CID 19380786

IUPAC4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane
SMILESCC(C)CC1CCC([Si]2(C)CCC(c3cc(F)c(Cl)c(F)c3)CC2)CC1
InChIInChI=1S/C22H33ClF2Si/c1-15(2)12-16-4-6-19(7-5-16)26(3)10-8-17(9-11-26)18-13-20(24)22(23)21(25)14-18/h13-17,19H,4-12H2,1-3H3
InChIKeyKZQXBCJFEONYQA-UHFFFAOYSA-N
MW399.04 g/mol
LogP8.18
Rot. Bonds4

About 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane

4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane (PubChem CID 19380786) has the molecular formula C22H33ClF2Si and a molecular weight of 399.04 g/mol. Its IUPAC name is 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane.

Molecular Properties

Compound Name4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane
PubChem CID19380786
Molecular FormulaC22H33ClF2Si
Molecular Weight399.04 g/mol
Exact Mass398.20
IUPAC Name4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane
SMILESCC(C)CC1CCC([Si]2(C)CCC(c3cc(F)c(Cl)c(F)c3)CC2)CC1
InChIInChI=1S/C22H33ClF2Si/c1-15(2)12-16-4-6-19(7-5-16)26(3)10-8-17(9-11-26)18-13-20(24)22(23)21(25)14-18/h13-17,19H,4-12H2,1-3H3
InChIKeyKZQXBCJFEONYQA-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.04
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-(4-chlorophenyl)-1,1,1-trifluorobut-2-en-2-yl]-triethylsilane
CID 25243021
[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane
CID 162406459
[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
CID 166441343
[2-(4-Chlorophenyl)phenyl]-trimethylsilane
CID 138974748
4-Chloro-2-fluoro-1-[2-[4-(4-heptylcyclohexyl)phenyl]ethyl]benzene
CID 13907554
1-Chloro-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 15745190
CID 17770631
CID 17770631
1-Chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene
CID 18344071
1-Chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-2-fluorobenzene
CID 18344082
1-Chloro-4-[4-[2-(4-ethylcyclohexyl)-2,2-difluoroethyl]cyclohexyl]-2-fluorobenzene
CID 18344085
trans-4-(trans-4-(2-(3,4,5-Trifluorophenyl) ethyl) cyclohexyl)-1-n-propyl-1-silacyclohexane
CID 18396371
4-Chloro-2-fluoro-1-[2-(4-heptylcyclohexyl)ethyl]benzene
CID 18610855

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane?
The IUPAC name of 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane (CID 19380786) is 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane.
What is the SMILES notation for 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane?
The canonical SMILES for 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane is CC(C)CC1CCC([Si]2(C)CCC(c3cc(F)c(Cl)c(F)c3)CC2)CC1.
What is the InChIKey of 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane?
The InChIKey is KZQXBCJFEONYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClF2Si/c1-15(2)12-16-4-6-19(7-5-16)26(3)10-8-17(9-11-26)18-13-20(24)22(23)21(25)14-18/h13-17,19H,4-12H2,1-3H3.
What are the key properties of 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane?
4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane has a molecular weight of 399.04 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane is sourced from PubChem (CID 19380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).