6-[(Difluoromethyl)silyl]hexan-2-one

C7H12F2OSi — CID 78060537

IUPAC—
SMILESCC(=O)CCCC[Si]C(F)F
InChIInChI=1S/C7H12F2OSi/c1-6(10)4-2-3-5-11-7(8)9/h7H,2-5H2,1H3
InChIKeyOANIFVIOPFXCHK-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.09
Rot. Bonds6

About 6-[(Difluoromethyl)silyl]hexan-2-one

6-[(Difluoromethyl)silyl]hexan-2-one (PubChem CID 78060537) has the molecular formula C7H12F2OSi and a molecular weight of 178.25 g/mol.

Molecular Properties

Compound Name6-[(Difluoromethyl)silyl]hexan-2-one
PubChem CID78060537
Molecular FormulaC7H12F2OSi
Molecular Weight178.25 g/mol
Exact Mass178.06
IUPAC Name—
SMILESCC(=O)CCCC[Si]C(F)F
InChIInChI=1S/C7H12F2OSi/c1-6(10)4-2-3-5-11-7(8)9/h7H,2-5H2,1H3
InChIKeyOANIFVIOPFXCHK-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.09
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

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
12-fluorododecan-2-one
CID 11623
CID 58391631
CID 58391631
11-hydroxytridecan-2-one
CID 11687152
6-iodohexan-2-one
CID 11390494
octadecakis(hexane);nonan-2-one
CID 173226284
1-hydroxyoctane-2,7-dione
CID 19604643
decan-2-one
CID 12741
nonan-2-one
CID 13187
21-hydroxyhenicosan-2-one
CID 153324955

Frequently Asked Questions

What is the IUPAC name of 6-[(Difluoromethyl)silyl]hexan-2-one?
The IUPAC name of 6-[(Difluoromethyl)silyl]hexan-2-one (CID 78060537) is not available.
What is the SMILES notation for 6-[(Difluoromethyl)silyl]hexan-2-one?
The canonical SMILES for 6-[(Difluoromethyl)silyl]hexan-2-one is CC(=O)CCCC[Si]C(F)F.
What is the InChIKey of 6-[(Difluoromethyl)silyl]hexan-2-one?
The InChIKey is OANIFVIOPFXCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OSi/c1-6(10)4-2-3-5-11-7(8)9/h7H,2-5H2,1H3.
What are the key properties of 6-[(Difluoromethyl)silyl]hexan-2-one?
6-[(Difluoromethyl)silyl]hexan-2-one has a molecular weight of 178.25 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Difluoromethyl)silyl]hexan-2-one is sourced from PubChem (CID 78060537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).