dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane

C15H23F3Si — CID 142317297

IUPACdimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane
SMILESCC(CCc1ccccc1)[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C15H23F3Si/c1-13(9-10-14-7-5-4-6-8-14)19(2,3)12-11-15(16,17)18/h4-8,13H,9-12H2,1-3H3
InChIKeyMXQNYKGWYRYVBO-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.67
Rot. Bonds6

About dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane

dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane (PubChem CID 142317297) has the molecular formula C15H23F3Si and a molecular weight of 288.43 g/mol. Its IUPAC name is dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane
PubChem CID142317297
Molecular FormulaC15H23F3Si
Molecular Weight288.43 g/mol
Exact Mass288.15
IUPAC Namedimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane
SMILESCC(CCc1ccccc1)[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C15H23F3Si/c1-13(9-10-14-7-5-4-6-8-14)19(2,3)12-11-15(16,17)18/h4-8,13H,9-12H2,1-3H3
InChIKeyMXQNYKGWYRYVBO-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane with MolForge

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

Launch Full Analysis

Related Compounds

hex-5-enyl-dimethyl-(4-phenylbutan-2-yl)silane
CID 146915207
3-(trifluoromethylsulfanyl)butylbenzene
CID 138974426
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane
CID 158826171
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
CID 104984699
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
ethene;3-methylbutylbenzene
CID 145421013
(2S)-4-phenylbutan-2-amine
CID 6994564
(2R)-4-phenylbutane-2-thiol
CID 28974861
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane (CID 142317297) is dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane is CC(CCc1ccccc1)[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane?
The InChIKey is MXQNYKGWYRYVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3Si/c1-13(9-10-14-7-5-4-6-8-14)19(2,3)12-11-15(16,17)18/h4-8,13H,9-12H2,1-3H3.
What are the key properties of dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane?
dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane has a molecular weight of 288.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 142317297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).