1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane

C20H35ClF2Si — CID 139792218

IUPAC1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane
SMILESCCCC1CCC([Si]2(Cl)CCC(C3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C20H35ClF2Si/c1-2-3-16-4-6-19(7-5-16)24(21)14-10-18(11-15-24)17-8-12-20(22,23)13-9-17/h16-19H,2-15H2,1H3
InChIKeyHPGUBWDZXDYNLK-UHFFFAOYSA-N
MW377.04 g/mol
LogP7.77
Rot. Bonds4

About 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane

1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane (PubChem CID 139792218) has the molecular formula C20H35ClF2Si and a molecular weight of 377.04 g/mol. Its IUPAC name is 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane.

Molecular Properties

Compound Name1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane
PubChem CID139792218
Molecular FormulaC20H35ClF2Si
Molecular Weight377.04 g/mol
Exact Mass376.22
IUPAC Name1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane
SMILESCCCC1CCC([Si]2(Cl)CCC(C3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C20H35ClF2Si/c1-2-3-16-4-6-19(7-5-16)24(21)14-10-18(11-15-24)17-8-12-20(22,23)13-9-17/h16-19H,2-15H2,1H3
InChIKeyHPGUBWDZXDYNLK-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.04
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-difluorocyclohexyl)-1-fluoro-1-(4-propylcyclohexyl)silinane
CID 139792189
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
2,2-difluoro-5-(4-propylcyclohexyl)oxane
CID 154524129
ethane;propane;propylcyclopropane
CID 145406182
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
CID 69029660
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643225
1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 19819398
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 18364504

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane?
The IUPAC name of 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane (CID 139792218) is 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane.
What is the SMILES notation for 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane?
The canonical SMILES for 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane is CCCC1CCC([Si]2(Cl)CCC(C3CCC(F)(F)CC3)CC2)CC1.
What is the InChIKey of 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane?
The InChIKey is HPGUBWDZXDYNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35ClF2Si/c1-2-3-16-4-6-19(7-5-16)24(21)14-10-18(11-15-24)17-8-12-20(22,23)13-9-17/h16-19H,2-15H2,1H3.
What are the key properties of 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane?
1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane has a molecular weight of 377.04 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane is sourced from PubChem (CID 139792218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).