2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone

C11H21ClF2OSi — CID 86003437

IUPAC2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone
SMILESCC(C)[Si](C(=O)C(F)(F)Cl)(C(C)C)C(C)C
InChIInChI=1S/C11H21ClF2OSi/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14/h7-9H,1-6H3
InChIKeyKQFQABQISZSTIU-UHFFFAOYSA-N
MW270.82 g/mol
LogP4.61
Rot. Bonds5

About 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone

2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone (PubChem CID 86003437) has the molecular formula C11H21ClF2OSi and a molecular weight of 270.82 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone
PubChem CID86003437
Molecular FormulaC11H21ClF2OSi
Molecular Weight270.82 g/mol
Exact Mass270.10
IUPAC Name2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone
SMILESCC(C)[Si](C(=O)C(F)(F)Cl)(C(C)C)C(C)C
InChIInChI=1S/C11H21ClF2OSi/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14/h7-9H,1-6H3
InChIKeyKQFQABQISZSTIU-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone?
The IUPAC name of 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone (CID 86003437) is 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone.
What is the SMILES notation for 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone?
The canonical SMILES for 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone is CC(C)[Si](C(=O)C(F)(F)Cl)(C(C)C)C(C)C.
What is the InChIKey of 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone?
The InChIKey is KQFQABQISZSTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClF2OSi/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14/h7-9H,1-6H3.
What are the key properties of 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone?
2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone has a molecular weight of 270.82 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-1-tri(propan-2-yl)silylethanone is sourced from PubChem (CID 86003437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).