[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane

C11H13ClF2Si — CID 16745205

IUPAC[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane
SMILESC[Si](C)(C)C(=C(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClF2Si/c1-15(2,3)10(11(13)14)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChIKeyPRXKZWQPROEHMT-UHFFFAOYSA-N
MW246.76 g/mol
LogP4.82
Rot. Bonds2

About [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane

[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane (PubChem CID 16745205) has the molecular formula C11H13ClF2Si and a molecular weight of 246.76 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane
PubChem CID16745205
Molecular FormulaC11H13ClF2Si
Molecular Weight246.76 g/mol
Exact Mass246.04
IUPAC Name[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane
SMILESC[Si](C)(C)C(=C(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClF2Si/c1-15(2,3)10(11(13)14)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChIKeyPRXKZWQPROEHMT-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane?
The IUPAC name of [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane (CID 16745205) is [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane.
What is the SMILES notation for [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane?
The canonical SMILES for [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane is C[Si](C)(C)C(=C(F)F)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane?
The InChIKey is PRXKZWQPROEHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2Si/c1-15(2,3)10(11(13)14)8-5-4-6-9(12)7-8/h4-7H,1-3H3.
What are the key properties of [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane?
[1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane has a molecular weight of 246.76 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2,2-difluoroethenyl]-trimethylsilane is sourced from PubChem (CID 16745205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).