4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane

C24H38F2OSi — CID 86196860

IUPAC4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(OCC(F)F)CC2)CC1
InChIInChI=1S/C24H38F2OSi/c1-2-3-7-16-28(23-8-5-4-6-9-23)17-14-21(15-18-28)20-10-12-22(13-11-20)27-19-24(25)26/h4-6,8-9,20-22,24H,2-3,7,10-19H2,1H3
InChIKeyNLEODNJVGGGXIM-UHFFFAOYSA-N
MW408.65 g/mol
LogP6.78
Rot. Bonds9

About 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane

4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane (PubChem CID 86196860) has the molecular formula C24H38F2OSi and a molecular weight of 408.65 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
PubChem CID86196860
Molecular FormulaC24H38F2OSi
Molecular Weight408.65 g/mol
Exact Mass408.27
IUPAC Name4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
SMILESCCCCC[Si]1(c2ccccc2)CCC(C2CCC(OCC(F)F)CC2)CC1
InChIInChI=1S/C24H38F2OSi/c1-2-3-7-16-28(23-8-5-4-6-9-23)17-14-21(15-18-28)20-10-12-22(13-11-20)27-19-24(25)26/h4-6,8-9,20-22,24H,2-3,7,10-19H2,1H3
InChIKeyNLEODNJVGGGXIM-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.65
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
CID 23354830
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
CID 22913891
2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
CID 139792196
1-butan-2-ylidene-4-[4-(2,2-difluoroethoxy)cyclohexyl]cyclohexane
CID 163752079
4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol
CID 19956732
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
2-butoxy-6-[4-(difluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139865676
4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane
CID 67709728
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
2,2-difluoroethyl N-[5-(methylcarbamoyloxy)-1-(4-phenylcyclohexyl)oxypentan-2-yl]-N-propylcarbamate
CID 166107463
2-decyloctadecyl benzenesulfonate
CID 174791490

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane?
The IUPAC name of 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane (CID 86196860) is 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane.
What is the SMILES notation for 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane?
The canonical SMILES for 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane is CCCCC[Si]1(c2ccccc2)CCC(C2CCC(OCC(F)F)CC2)CC1.
What is the InChIKey of 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane?
The InChIKey is NLEODNJVGGGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F2OSi/c1-2-3-7-16-28(23-8-5-4-6-9-23)17-14-21(15-18-28)20-10-12-22(13-11-20)27-19-24(25)26/h4-6,8-9,20-22,24H,2-3,7,10-19H2,1H3.
What are the key properties of 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane?
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane has a molecular weight of 408.65 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane is sourced from PubChem (CID 86196860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).