2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one

C11H21FOSi — CID 100977891

IUPAC2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one
SMILESC[Si](C)(F)CCCC1CCCCC1=O
InChIInChI=1S/C11H21FOSi/c1-14(2,12)9-5-7-10-6-3-4-8-11(10)13/h10H,3-9H2,1-2H3
InChIKeyPCLOIAIBPZRXEL-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.70
Rot. Bonds4

About 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one

2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one (PubChem CID 100977891) has the molecular formula C11H21FOSi and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one
PubChem CID100977891
Molecular FormulaC11H21FOSi
Molecular Weight216.37 g/mol
Exact Mass216.13
IUPAC Name2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one
SMILESC[Si](C)(F)CCCC1CCCCC1=O
InChIInChI=1S/C11H21FOSi/c1-14(2,12)9-5-7-10-6-3-4-8-11(10)13/h10H,3-9H2,1-2H3
InChIKeyPCLOIAIBPZRXEL-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-Propylcyclohexanone
CID 142482
Cyclohexanone, 2-propyl-
CID 7199
1-Cyclohexylpropan-1-one
CID 70748
1-Cyclohexylbutan-1-one
CID 73832
4-Cyclohexylbutan-2-one
CID 536973
Cyclohexylacetone
CID 66899
4-Butylcyclohexanone
CID 543708
1-Cyclohexylbutan-2-one
CID 11469192
2-Butylcyclohexanone
CID 70771
3-Butylcyclohexanone
CID 566193
Cyclohexanone, 2-propyl-, (2S)-
CID 11094716
3-Propylcyclohexan-1-one
CID 13862294

Frequently Asked Questions

What is the IUPAC name of 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one?
The IUPAC name of 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one (CID 100977891) is 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one?
The canonical SMILES for 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one is C[Si](C)(F)CCCC1CCCCC1=O.
What is the InChIKey of 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one?
The InChIKey is PCLOIAIBPZRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FOSi/c1-14(2,12)9-5-7-10-6-3-4-8-11(10)13/h10H,3-9H2,1-2H3.
What are the key properties of 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one?
2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one has a molecular weight of 216.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[fluoro(dimethyl)silyl]propyl]cyclohexan-1-one is sourced from PubChem (CID 100977891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).