4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane

C22H34F2Si — CID 11100600

IUPAC4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C22H34F2Si/c1-2-3-7-16-25(21-8-5-4-6-9-21)17-12-20(13-18-25)19-10-14-22(23,24)15-11-19/h4-6,8-9,19-20H,2-3,7,10-18H2,1H3
InChIKeyIFDLOJDBEMNPCW-UHFFFAOYSA-N
MW364.60 g/mol
LogP6.77
Rot. Bonds6

About 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane

4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane (PubChem CID 11100600) has the molecular formula C22H34F2Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane
PubChem CID11100600
Molecular FormulaC22H34F2Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C22H34F2Si/c1-2-3-7-16-25(21-8-5-4-6-9-21)17-12-20(13-18-25)19-10-14-22(23,24)15-11-19/h4-6,8-9,19-20H,2-3,7,10-18H2,1H3
InChIKeyIFDLOJDBEMNPCW-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane (CID 11100600) is 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane is CCCCC[Si]1(c2ccccc2)CCC(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane?
The InChIKey is IFDLOJDBEMNPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F2Si/c1-2-3-7-16-25(21-8-5-4-6-9-21)17-12-20(13-18-25)19-10-14-22(23,24)15-11-19/h4-6,8-9,19-20H,2-3,7,10-18H2,1H3.
What are the key properties of 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane?
4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane has a molecular weight of 364.60 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-1-pentyl-1-phenylsilinane is sourced from PubChem (CID 11100600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).