(4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate

C12H22F2O3Si — CID 174125211

IUPAC(4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H22F2O3Si/c1-12(13,14)11(15)16-9-5-7-10(8-6-9)17-18(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyHPDDIUAKCFNUFA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.35
Rot. Bonds4

About (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate

(4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate (PubChem CID 174125211) has the molecular formula C12H22F2O3Si and a molecular weight of 280.39 g/mol. Its IUPAC name is (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate
PubChem CID174125211
Molecular FormulaC12H22F2O3Si
Molecular Weight280.39 g/mol
Exact Mass280.13
IUPAC Name(4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H22F2O3Si/c1-12(13,14)11(15)16-9-5-7-10(8-6-9)17-18(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyHPDDIUAKCFNUFA-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate?
The IUPAC name of (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate (CID 174125211) is (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate.
What is the SMILES notation for (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate?
The canonical SMILES for (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCC(O[Si](C)(C)C)CC1.
What is the InChIKey of (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate?
The InChIKey is HPDDIUAKCFNUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O3Si/c1-12(13,14)11(15)16-9-5-7-10(8-6-9)17-18(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate?
(4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate has a molecular weight of 280.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate is sourced from PubChem (CID 174125211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).