(3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane

C12H22ClFSi — CID 10610604

IUPAC(3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(F)Cl)(C(C)C)C(C)C
InChIInChI=1S/C12H22ClFSi/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-12H,1-6H3
InChIKeyJZKQWRKQZVCZPC-UHFFFAOYSA-N
MW248.84 g/mol
LogP4.74
Rot. Bonds3

About (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane

(3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane (PubChem CID 10610604) has the molecular formula C12H22ClFSi and a molecular weight of 248.84 g/mol. Its IUPAC name is (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
PubChem CID10610604
Molecular FormulaC12H22ClFSi
Molecular Weight248.84 g/mol
Exact Mass248.12
IUPAC Name(3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(F)Cl)(C(C)C)C(C)C
InChIInChI=1S/C12H22ClFSi/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-12H,1-6H3
InChIKeyJZKQWRKQZVCZPC-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloroprop-1-yn-1-yl)(triethyl)silane
CID 13162530
3-Chloroprop-1-ynyl-tri(propan-2-yl)silane
CID 86187348
1-Chloroprop-2-ynyl-tri(propan-2-yl)silane
CID 140111668
Tert-butyl-(1-chloroprop-2-ynyl)-dimethylsilane
CID 140111750
1-Chloroprop-2-ynyl(triethyl)silane
CID 140111772
1-Chloroprop-2-ynyl(tripropyl)silane
CID 140111816
4-Chlorobutyl-dimethyl-prop-1-ynylsilane
CID 12022388
3-Chloroprop-1-ynyl-[[3-chloroprop-1-ynyl(dimethyl)silyl]methyl]-dimethylsilane
CID 15436159
3-Chloroprop-1-ynyl-[2-[3-chloroprop-1-ynyl(dimethyl)silyl]ethyl]-dimethylsilane
CID 15436160
(3-Chloro-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 102163014

Frequently Asked Questions

What is the IUPAC name of (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The IUPAC name of (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane (CID 10610604) is (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The canonical SMILES for (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane is CC(C)[Si](C#CC(F)Cl)(C(C)C)C(C)C.
What is the InChIKey of (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The InChIKey is JZKQWRKQZVCZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClFSi/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-12H,1-6H3.
What are the key properties of (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
(3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane has a molecular weight of 248.84 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 10610604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).