4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane

C20H32F2OSi — CID 54164040

IUPAC4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(c2ccc(OCC(F)F)cc2)CC1
InChIInChI=1S/C20H32F2OSi/c1-2-3-4-5-6-13-24-14-11-18(12-15-24)17-7-9-19(10-8-17)23-16-20(21)22/h7-10,18,20,24H,2-6,11-16H2,1H3
InChIKeyOQKHPZCQZHXMCA-UHFFFAOYSA-N
MW354.56 g/mol
LogP6.41
Rot. Bonds10

About 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane

4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane (PubChem CID 54164040) has the molecular formula C20H32F2OSi and a molecular weight of 354.56 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
PubChem CID54164040
Molecular FormulaC20H32F2OSi
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(c2ccc(OCC(F)F)cc2)CC1
InChIInChI=1S/C20H32F2OSi/c1-2-3-4-5-6-13-24-14-11-18(12-15-24)17-7-9-19(10-8-17)23-16-20(21)22/h7-10,18,20,24H,2-6,11-16H2,1H3
InChIKeyOQKHPZCQZHXMCA-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 56.41
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-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
CID 22373424
CID 22373424
4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
CID 54736791
2,2-difluoroethyl 4-(4-octoxyphenyl)cyclohexane-1-carboxylate
CID 18659029
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
2,2-difluoroethyl 4-(4-pentoxyphenyl)cyclohexane-1-carboxylate
CID 18659031
4-(4-octoxyphenyl)piperidine
CID 90176821
4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54226903
1-cyclohexyl-4-heptoxybenzene
CID 56628106
(4-fluorophenyl) 2,6-difluoro-4-(1-pentylsilinan-4-yl)benzoate
CID 54356523
1-octoxy-3-[4-(oxan-4-yl)phenoxy]propan-2-ol
CID 20648308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane?
The IUPAC name of 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane (CID 54164040) is 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane.
What is the SMILES notation for 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane?
The canonical SMILES for 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane is CCCCCCC[SiH]1CCC(c2ccc(OCC(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane?
The InChIKey is OQKHPZCQZHXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2OSi/c1-2-3-4-5-6-13-24-14-11-18(12-15-24)17-7-9-19(10-8-17)23-16-20(21)22/h7-10,18,20,24H,2-6,11-16H2,1H3.
What are the key properties of 4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane?
4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane has a molecular weight of 354.56 g/mol, XLogP of 6.41, 10 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)phenyl]-1-heptylsilinane is sourced from PubChem (CID 54164040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).