[(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane

C14H27FSi — CID 101049978

IUPAC[(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane
SMILESCC(C)(C)C1CCC(=C(F)[Si](C)(C)C)CC1
InChIInChI=1S/C14H27FSi/c1-14(2,3)12-9-7-11(8-10-12)13(15)16(4,5)6/h12H,7-10H2,1-6H3/b13-11-
InChIKeyXOUFYDUDZBLIMK-QBFSEMIESA-N
MW242.45 g/mol
LogP5.32
Rot. Bonds1

About [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane

[(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane (PubChem CID 101049978) has the molecular formula C14H27FSi and a molecular weight of 242.45 g/mol. Its IUPAC name is [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane.

Molecular Properties

Compound Name[(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane
PubChem CID101049978
Molecular FormulaC14H27FSi
Molecular Weight242.45 g/mol
Exact Mass242.19
IUPAC Name[(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane
SMILESCC(C)(C)C1CCC(=C(F)[Si](C)(C)C)CC1
InChIInChI=1S/C14H27FSi/c1-14(2,3)12-9-7-11(8-10-12)13(15)16(4,5)6/h12H,7-10H2,1-6H3/b13-11-
InChIKeyXOUFYDUDZBLIMK-QBFSEMIESA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane?
The IUPAC name of [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane (CID 101049978) is [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane.
What is the SMILES notation for [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane?
The canonical SMILES for [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane is CC(C)(C)C1CCC(=C(F)[Si](C)(C)C)CC1.
What is the InChIKey of [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane?
The InChIKey is XOUFYDUDZBLIMK-QBFSEMIESA-N. The full InChI is InChI=1S/C14H27FSi/c1-14(2,3)12-9-7-11(8-10-12)13(15)16(4,5)6/h12H,7-10H2,1-6H3/b13-11-.
What are the key properties of [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane?
[(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane has a molecular weight of 242.45 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylcyclohexylidene)-fluoromethyl]-trimethylsilane is sourced from PubChem (CID 101049978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).