dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane

C15H31Cl2F3O2Si — CID 173046687

IUPACdichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane
SMILESCC(C)C[SiH](CC(C)C)CC(C)C.ClCCl.O=C(O)C(F)(F)F
InChIInChI=1S/C12H28Si.C2HF3O2.CH2Cl2/c1-10(2)7-13(8-11(3)4)9-12(5)6;3-2(4,5)1(6)7;2-1-3/h10-13H,7-9H2,1-6H3;(H,6,7);1H2
InChIKeyUZHLLTNTZCZCOL-UHFFFAOYSA-N
MW399.40 g/mol
LogP6.24
Rot. Bonds6

About dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane

dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane (PubChem CID 173046687) has the molecular formula C15H31Cl2F3O2Si and a molecular weight of 399.40 g/mol. Its IUPAC name is dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane.

Molecular Properties

Compound Namedichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane
PubChem CID173046687
Molecular FormulaC15H31Cl2F3O2Si
Molecular Weight399.40 g/mol
Exact Mass398.14
IUPAC Namedichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane
SMILESCC(C)C[SiH](CC(C)C)CC(C)C.ClCCl.O=C(O)C(F)(F)F
InChIInChI=1S/C12H28Si.C2HF3O2.CH2Cl2/c1-10(2)7-13(8-11(3)4)9-12(5)6;3-2(4,5)1(6)7;2-1-3/h10-13H,7-9H2,1-6H3;(H,6,7);1H2
InChIKeyUZHLLTNTZCZCOL-UHFFFAOYSA-N
XLogP6.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 56.24
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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Related Compounds

3-methylbutanal;2,2,2-trifluoroacetic acid
CID 175965377
CID 22140680
CID 22140680
ethane-1,1-diol;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
CID 173053065
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane?
The IUPAC name of dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane (CID 173046687) is dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane.
What is the SMILES notation for dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane?
The canonical SMILES for dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane is CC(C)C[SiH](CC(C)C)CC(C)C.ClCCl.O=C(O)C(F)(F)F.
What is the InChIKey of dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane?
The InChIKey is UZHLLTNTZCZCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28Si.C2HF3O2.CH2Cl2/c1-10(2)7-13(8-11(3)4)9-12(5)6;3-2(4,5)1(6)7;2-1-3/h10-13H,7-9H2,1-6H3;(H,6,7);1H2.
What are the key properties of dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane?
dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane has a molecular weight of 399.40 g/mol, XLogP of 6.24, 6 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;tris(2-methylpropyl)silane is sourced from PubChem (CID 173046687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).