trichloro(1,1,1-trifluoropropan-2-yl)silane

C3H4Cl3F3Si — CID 13222400

IUPACtrichloro(1,1,1-trifluoropropan-2-yl)silane
SMILESCC(C(F)(F)F)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl3F3Si/c1-2(3(7,8)9)10(4,5)6/h2H,1H3
InChIKeyZGNDEYWIPCARBF-UHFFFAOYSA-N
MW231.50 g/mol
LogP3.59
Rot. Bonds1

About trichloro(1,1,1-trifluoropropan-2-yl)silane

trichloro(1,1,1-trifluoropropan-2-yl)silane (PubChem CID 13222400) has the molecular formula C3H4Cl3F3Si and a molecular weight of 231.50 g/mol. Its IUPAC name is trichloro(1,1,1-trifluoropropan-2-yl)silane.

Molecular Properties

Compound Nametrichloro(1,1,1-trifluoropropan-2-yl)silane
PubChem CID13222400
Molecular FormulaC3H4Cl3F3Si
Molecular Weight231.50 g/mol
Exact Mass229.91
IUPAC Nametrichloro(1,1,1-trifluoropropan-2-yl)silane
SMILESCC(C(F)(F)F)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl3F3Si/c1-2(3(7,8)9)10(4,5)6/h2H,1H3
InChIKeyZGNDEYWIPCARBF-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.50
LogP ≤ 53.59
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'}

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Frequently Asked Questions

What is the IUPAC name of trichloro(1,1,1-trifluoropropan-2-yl)silane?
The IUPAC name of trichloro(1,1,1-trifluoropropan-2-yl)silane (CID 13222400) is trichloro(1,1,1-trifluoropropan-2-yl)silane.
What is the SMILES notation for trichloro(1,1,1-trifluoropropan-2-yl)silane?
The canonical SMILES for trichloro(1,1,1-trifluoropropan-2-yl)silane is CC(C(F)(F)F)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(1,1,1-trifluoropropan-2-yl)silane?
The InChIKey is ZGNDEYWIPCARBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl3F3Si/c1-2(3(7,8)9)10(4,5)6/h2H,1H3.
What are the key properties of trichloro(1,1,1-trifluoropropan-2-yl)silane?
trichloro(1,1,1-trifluoropropan-2-yl)silane has a molecular weight of 231.50 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(1,1,1-trifluoropropan-2-yl)silane is sourced from PubChem (CID 13222400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).