3-(difluoromethylidene)hept-1-ynyl-trimethylsilane

C11H18F2Si — CID 139708427

IUPAC3-(difluoromethylidene)hept-1-ynyl-trimethylsilane
SMILESCCCCC(C#C[Si](C)(C)C)=C(F)F
InChIInChI=1S/C11H18F2Si/c1-5-6-7-10(11(12)13)8-9-14(2,3)4/h5-7H2,1-4H3
InChIKeyDWOPRPDJTAKUMS-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.21
Rot. Bonds3

About 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane

3-(difluoromethylidene)hept-1-ynyl-trimethylsilane (PubChem CID 139708427) has the molecular formula C11H18F2Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(difluoromethylidene)hept-1-ynyl-trimethylsilane
PubChem CID139708427
Molecular FormulaC11H18F2Si
Molecular Weight216.35 g/mol
Exact Mass216.11
IUPAC Name3-(difluoromethylidene)hept-1-ynyl-trimethylsilane
SMILESCCCCC(C#C[Si](C)(C)C)=C(F)F
InChIInChI=1S/C11H18F2Si/c1-5-6-7-10(11(12)13)8-9-14(2,3)4/h5-7H2,1-4H3
InChIKeyDWOPRPDJTAKUMS-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane
CID 139880263
Tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane
CID 10999765
Trimethyl[2-(trifluoromethyl)-3-cyclohexylidene-2-propenyl]silane
CID 102471339
Trimethyl-[3-(2-methylprop-1-enylidene)hept-1-ynyl]silane
CID 11310582

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane?
The IUPAC name of 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane (CID 139708427) is 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane is CCCCC(C#C[Si](C)(C)C)=C(F)F.
What is the InChIKey of 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane?
The InChIKey is DWOPRPDJTAKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2Si/c1-5-6-7-10(11(12)13)8-9-14(2,3)4/h5-7H2,1-4H3.
What are the key properties of 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane?
3-(difluoromethylidene)hept-1-ynyl-trimethylsilane has a molecular weight of 216.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)hept-1-ynyl-trimethylsilane is sourced from PubChem (CID 139708427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).