chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

C11H12ClF5Si — CID 2760297

IUPACchloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESC[Si](C)(Cl)CCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12ClF5Si/c1-18(2,12)5-3-4-6-7(13)9(15)11(17)10(16)8(6)14/h3-5H2,1-2H3
InChIKeyOCIDTPKJLONLEN-UHFFFAOYSA-N
MW302.75 g/mol
LogP4.76
Rot. Bonds4

About chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 2760297) has the molecular formula C11H12ClF5Si and a molecular weight of 302.75 g/mol. Its IUPAC name is chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Namechloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID2760297
Molecular FormulaC11H12ClF5Si
Molecular Weight302.75 g/mol
Exact Mass302.03
IUPAC Namechloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESC[Si](C)(Cl)CCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12ClF5Si/c1-18(2,12)5-3-4-6-7(13)9(15)11(17)10(16)8(6)14/h3-5H2,1-2H3
InChIKeyOCIDTPKJLONLEN-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 2760297) is chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is C[Si](C)(Cl)CCCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is OCIDTPKJLONLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF5Si/c1-18(2,12)5-3-4-6-7(13)9(15)11(17)10(16)8(6)14/h3-5H2,1-2H3.
What are the key properties of chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 302.75 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 2760297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).