dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane

C12H25Cl2F3O2Si — CID 131724618

IUPACdichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane
SMILESCC(C)[SiH](C(C)C)C(C)C.ClCCl.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.C2HF3O2.CH2Cl2/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;2-1-3/h7-10H,1-6H3;(H,6,7);1H2
InChIKeyAUUONGSDLNKQGW-UHFFFAOYSA-N
MW357.32 g/mol
LogP5.50
Rot. Bonds3

About dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane

dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane (PubChem CID 131724618) has the molecular formula C12H25Cl2F3O2Si and a molecular weight of 357.32 g/mol. Its IUPAC name is dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane.

Molecular Properties

Compound Namedichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane
PubChem CID131724618
Molecular FormulaC12H25Cl2F3O2Si
Molecular Weight357.32 g/mol
Exact Mass356.10
IUPAC Namedichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane
SMILESCC(C)[SiH](C(C)C)C(C)C.ClCCl.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.C2HF3O2.CH2Cl2/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;2-1-3/h7-10H,1-6H3;(H,6,7);1H2
InChIKeyAUUONGSDLNKQGW-UHFFFAOYSA-N
XLogP5.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.32
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane?
The IUPAC name of dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane (CID 131724618) is dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane.
What is the SMILES notation for dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane?
The canonical SMILES for dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane is CC(C)[SiH](C(C)C)C(C)C.ClCCl.O=C(O)C(F)(F)F.
What is the InChIKey of dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane?
The InChIKey is AUUONGSDLNKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22Si.C2HF3O2.CH2Cl2/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;2-1-3/h7-10H,1-6H3;(H,6,7);1H2.
What are the key properties of dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane?
dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane has a molecular weight of 357.32 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane is sourced from PubChem (CID 131724618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).