dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane

C4H7Cl2F3Si — CID 13222398

IUPACdichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane
SMILESCC(C(F)(F)F)[Si](C)(Cl)Cl
InChIInChI=1S/C4H7Cl2F3Si/c1-3(4(7,8)9)10(2,5)6/h3H,1-2H3
InChIKeyDQPMAASJNLLNIP-UHFFFAOYSA-N
MW211.09 g/mol
LogP3.49
Rot. Bonds1

About dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane

dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane (PubChem CID 13222398) has the molecular formula C4H7Cl2F3Si and a molecular weight of 211.09 g/mol. Its IUPAC name is dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane.

Molecular Properties

Compound Namedichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane
PubChem CID13222398
Molecular FormulaC4H7Cl2F3Si
Molecular Weight211.09 g/mol
Exact Mass209.96
IUPAC Namedichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane
SMILESCC(C(F)(F)F)[Si](C)(Cl)Cl
InChIInChI=1S/C4H7Cl2F3Si/c1-3(4(7,8)9)10(2,5)6/h3H,1-2H3
InChIKeyDQPMAASJNLLNIP-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane?
The IUPAC name of dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane (CID 13222398) is dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane.
What is the SMILES notation for dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane?
The canonical SMILES for dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane is CC(C(F)(F)F)[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane?
The InChIKey is DQPMAASJNLLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2F3Si/c1-3(4(7,8)9)10(2,5)6/h3H,1-2H3.
What are the key properties of dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane?
dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane has a molecular weight of 211.09 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane is sourced from PubChem (CID 13222398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).