3-(2,6-dimethylphenyl)propyl-difluorosilane

C11H16F2Si — CID 123512111

IUPAC3-(2,6-dimethylphenyl)propyl-difluorosilane
SMILESCc1cccc(C)c1CCC[SiH](F)F
InChIInChI=1S/C11H16F2Si/c1-9-5-3-6-10(2)11(9)7-4-8-14(12)13/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyLIWUHUURVXASNW-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,6-dimethylphenyl)propyl-difluorosilane

3-(2,6-dimethylphenyl)propyl-difluorosilane (PubChem CID 123512111) has the molecular formula C11H16F2Si and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)propyl-difluorosilane.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)propyl-difluorosilane
PubChem CID123512111
Molecular FormulaC11H16F2Si
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-(2,6-dimethylphenyl)propyl-difluorosilane
SMILESCc1cccc(C)c1CCC[SiH](F)F
InChIInChI=1S/C11H16F2Si/c1-9-5-3-6-10(2)11(9)7-4-8-14(12)13/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyLIWUHUURVXASNW-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.40
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

2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 139601622
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
CID 3024726
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
3-(2,6-dimethylphenyl)propanal
CID 73014071
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
2-butyl-3-methylphenol
CID 174788119
1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
CID 54377530
(2-butyl-6-methylphenyl)methanamine
CID 163670855
1,3-dimethyl-2-propylbenzene;prop-1-yne
CID 143326143

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)propyl-difluorosilane?
The IUPAC name of 3-(2,6-dimethylphenyl)propyl-difluorosilane (CID 123512111) is 3-(2,6-dimethylphenyl)propyl-difluorosilane.
What is the SMILES notation for 3-(2,6-dimethylphenyl)propyl-difluorosilane?
The canonical SMILES for 3-(2,6-dimethylphenyl)propyl-difluorosilane is Cc1cccc(C)c1CCC[SiH](F)F.
What is the InChIKey of 3-(2,6-dimethylphenyl)propyl-difluorosilane?
The InChIKey is LIWUHUURVXASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2Si/c1-9-5-3-6-10(2)11(9)7-4-8-14(12)13/h3,5-6,14H,4,7-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)propyl-difluorosilane?
3-(2,6-dimethylphenyl)propyl-difluorosilane has a molecular weight of 214.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)propyl-difluorosilane is sourced from PubChem (CID 123512111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).