1-(4-tert-butylphenyl)propyl-difluorosilane

C13H20F2Si — CID 173091162

IUPAC1-(4-tert-butylphenyl)propyl-difluorosilane
SMILESCCC(c1ccc(C(C)(C)C)cc1)[SiH](F)F
InChIInChI=1S/C13H20F2Si/c1-5-12(16(14)15)10-6-8-11(9-7-10)13(2,3)4/h6-9,12,16H,5H2,1-4H3
InChIKeyRLNKZPJHJNEFCF-UHFFFAOYSA-N
MW242.38 g/mol
LogP4.18
Rot. Bonds3

About 1-(4-tert-butylphenyl)propyl-difluorosilane

1-(4-tert-butylphenyl)propyl-difluorosilane (PubChem CID 173091162) has the molecular formula C13H20F2Si and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)propyl-difluorosilane.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)propyl-difluorosilane
PubChem CID173091162
Molecular FormulaC13H20F2Si
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name1-(4-tert-butylphenyl)propyl-difluorosilane
SMILESCCC(c1ccc(C(C)(C)C)cc1)[SiH](F)F
InChIInChI=1S/C13H20F2Si/c1-5-12(16(14)15)10-6-8-11(9-7-10)13(2,3)4/h6-9,12,16H,5H2,1-4H3
InChIKeyRLNKZPJHJNEFCF-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.18
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

1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
1-(1-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63440017
1-(4-tert-butylphenyl)octyl-dichlorosilane
CID 172998452
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
1-tert-butyl-4-(4-fluoro-4-methylpentan-2-yl)benzene
CID 24974883
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)propyl-difluorosilane?
The IUPAC name of 1-(4-tert-butylphenyl)propyl-difluorosilane (CID 173091162) is 1-(4-tert-butylphenyl)propyl-difluorosilane.
What is the SMILES notation for 1-(4-tert-butylphenyl)propyl-difluorosilane?
The canonical SMILES for 1-(4-tert-butylphenyl)propyl-difluorosilane is CCC(c1ccc(C(C)(C)C)cc1)[SiH](F)F.
What is the InChIKey of 1-(4-tert-butylphenyl)propyl-difluorosilane?
The InChIKey is RLNKZPJHJNEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2Si/c1-5-12(16(14)15)10-6-8-11(9-7-10)13(2,3)4/h6-9,12,16H,5H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)propyl-difluorosilane?
1-(4-tert-butylphenyl)propyl-difluorosilane has a molecular weight of 242.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)propyl-difluorosilane is sourced from PubChem (CID 173091162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).