butan-2-yl(trifluoro)silane

C4H9F3Si — CID 12500127

IUPACbutan-2-yl(trifluoro)silane
SMILESCCC(C)[Si](F)(F)F
InChIInChI=1S/C4H9F3Si/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3
InChIKeyPEMNHBDEZYBANS-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.63
Rot. Bonds2

About butan-2-yl(trifluoro)silane

butan-2-yl(trifluoro)silane (PubChem CID 12500127) has the molecular formula C4H9F3Si and a molecular weight of 142.20 g/mol. Its IUPAC name is butan-2-yl(trifluoro)silane.

Molecular Properties

Compound Namebutan-2-yl(trifluoro)silane
PubChem CID12500127
Molecular FormulaC4H9F3Si
Molecular Weight142.20 g/mol
Exact Mass142.04
IUPAC Namebutan-2-yl(trifluoro)silane
SMILESCCC(C)[Si](F)(F)F
InChIInChI=1S/C4H9F3Si/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3
InChIKeyPEMNHBDEZYBANS-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.63
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 butan-2-yl(trifluoro)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 butan-2-yl(trifluoro)silane?
The IUPAC name of butan-2-yl(trifluoro)silane (CID 12500127) is butan-2-yl(trifluoro)silane.
What is the SMILES notation for butan-2-yl(trifluoro)silane?
The canonical SMILES for butan-2-yl(trifluoro)silane is CCC(C)[Si](F)(F)F.
What is the InChIKey of butan-2-yl(trifluoro)silane?
The InChIKey is PEMNHBDEZYBANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3Si/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3.
What are the key properties of butan-2-yl(trifluoro)silane?
butan-2-yl(trifluoro)silane has a molecular weight of 142.20 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(trifluoro)silane is sourced from PubChem (CID 12500127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).