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

C19H27ClF2OSi — CID 22878457

IUPAC1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane
SMILESCCOc1ccc(C2(C3CC[SiH](Cl)CC3)CCCCC2)c(F)c1F
InChIInChI=1S/C19H27ClF2OSi/c1-2-23-16-7-6-15(17(21)18(16)22)19(10-4-3-5-11-19)14-8-12-24(20)13-9-14/h6-7,14,24H,2-5,8-13H2,1H3
InChIKeyHQHFCDFDCHYYST-UHFFFAOYSA-N
MW372.96 g/mol
LogP5.94
Rot. Bonds4

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

1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane (PubChem CID 22878457) has the molecular formula C19H27ClF2OSi and a molecular weight of 372.96 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane.

Molecular Properties

Compound Name1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane
PubChem CID22878457
Molecular FormulaC19H27ClF2OSi
Molecular Weight372.96 g/mol
Exact Mass372.15
IUPAC Name1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane
SMILESCCOc1ccc(C2(C3CC[SiH](Cl)CC3)CCCCC2)c(F)c1F
InChIInChI=1S/C19H27ClF2OSi/c1-2-23-16-7-6-15(17(21)18(16)22)19(10-4-3-5-11-19)14-8-12-24(20)13-9-14/h6-7,14,24H,2-5,8-13H2,1H3
InChIKeyHQHFCDFDCHYYST-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.96
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane?
The IUPAC name of 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane (CID 22878457) is 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane.
What is the SMILES notation for 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane?
The canonical SMILES for 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane is CCOc1ccc(C2(C3CC[SiH](Cl)CC3)CCCCC2)c(F)c1F.
What is the InChIKey of 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane?
The InChIKey is HQHFCDFDCHYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClF2OSi/c1-2-23-16-7-6-15(17(21)18(16)22)19(10-4-3-5-11-19)14-8-12-24(20)13-9-14/h6-7,14,24H,2-5,8-13H2,1H3.
What are the key properties of 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane?
1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane has a molecular weight of 372.96 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane is sourced from PubChem (CID 22878457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).