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

C17H23ClF2Si — CID 139792190

IUPAC1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane
SMILESFC1(F)CCC(C2CC[Si](Cl)(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H23ClF2Si/c18-21(16-4-2-1-3-5-16)12-8-15(9-13-21)14-6-10-17(19,20)11-7-14/h1-5,14-15H,6-13H2
InChIKeyMODXVBPTDIUHJO-UHFFFAOYSA-N
MW328.91 g/mol
LogP5.31
Rot. Bonds2

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

1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane (PubChem CID 139792190) has the molecular formula C17H23ClF2Si and a molecular weight of 328.91 g/mol. Its IUPAC name is 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane.

Molecular Properties

Compound Name1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane
PubChem CID139792190
Molecular FormulaC17H23ClF2Si
Molecular Weight328.91 g/mol
Exact Mass328.12
IUPAC Name1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane
SMILESFC1(F)CCC(C2CC[Si](Cl)(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H23ClF2Si/c18-21(16-4-2-1-3-5-16)12-8-15(9-13-21)14-6-10-17(19,20)11-7-14/h1-5,14-15H,6-13H2
InChIKeyMODXVBPTDIUHJO-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.91
LogP ≤ 55.31
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-difluoro-1,1-diphenylsilinane
CID 139792198
1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane
CID 139792218
1-chloro-4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-1-phenylsilinane
CID 22913882
(2,2-difluorocyclobutyl)benzene
CID 91804683
1-chloro-2,5-dimethyl-1-phenylsilolane
CID 15205261
N-(3,3-difluorocyclopentyl)aniline
CID 170406665
6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane
CID 178021651
(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893040
4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one
CID 22412520
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
4-(4,4-difluorocyclohexyl)-1-fluoro-1-(4-propylcyclohexyl)silinane
CID 139792189

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane?
The IUPAC name of 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane (CID 139792190) is 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane.
What is the SMILES notation for 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane?
The canonical SMILES for 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane is FC1(F)CCC(C2CC[Si](Cl)(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane?
The InChIKey is MODXVBPTDIUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF2Si/c18-21(16-4-2-1-3-5-16)12-8-15(9-13-21)14-6-10-17(19,20)11-7-14/h1-5,14-15H,6-13H2.
What are the key properties of 1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane?
1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane has a molecular weight of 328.91 g/mol, XLogP of 5.31, 2 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-phenylsilinane is sourced from PubChem (CID 139792190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).