dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane

C19H22F4Si — CID 158826171

IUPACdimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane
SMILESCc1c(F)c(F)c(F)c(F)c1[Si](C)(C)C(C)CCc1ccccc1
InChIInChI=1S/C19H22F4Si/c1-12(10-11-14-8-6-5-7-9-14)24(3,4)19-13(2)15(20)16(21)17(22)18(19)23/h5-9,12H,10-11H2,1-4H3
InChIKeyYOTIUBXBYZTWHA-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.49
Rot. Bonds5

About dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane

dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane (PubChem CID 158826171) has the molecular formula C19H22F4Si and a molecular weight of 354.46 g/mol. Its IUPAC name is dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane.

Molecular Properties

Compound Namedimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane
PubChem CID158826171
Molecular FormulaC19H22F4Si
Molecular Weight354.46 g/mol
Exact Mass354.14
IUPAC Namedimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane
SMILESCc1c(F)c(F)c(F)c(F)c1[Si](C)(C)C(C)CCc1ccccc1
InChIInChI=1S/C19H22F4Si/c1-12(10-11-14-8-6-5-7-9-14)24(3,4)19-13(2)15(20)16(21)17(22)18(19)23/h5-9,12H,10-11H2,1-4H3
InChIKeyYOTIUBXBYZTWHA-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(4-phenylbutan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 142317297
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(4-phenylbutan-2-yl)-λ4-sulfane
CID 139337735
3-methyl-6-phenylhexan-2-ol
CID 54498182
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
3,4-dimethylhexylbenzene
CID 72602417
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
CID 114978840
ethene;3-methylbutylbenzene
CID 145421013
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
trimethyl(2-phenylethyl)phosphanium
CID 10777798
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane?
The IUPAC name of dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane (CID 158826171) is dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane.
What is the SMILES notation for dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane?
The canonical SMILES for dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane is Cc1c(F)c(F)c(F)c(F)c1[Si](C)(C)C(C)CCc1ccccc1.
What is the InChIKey of dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane?
The InChIKey is YOTIUBXBYZTWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4Si/c1-12(10-11-14-8-6-5-7-9-14)24(3,4)19-13(2)15(20)16(21)17(22)18(19)23/h5-9,12H,10-11H2,1-4H3.
What are the key properties of dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane?
dimethyl-(4-phenylbutan-2-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane has a molecular weight of 354.46 g/mol, XLogP of 5.49, 5 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)-(2,3,4,5-tetrafluoro-6-methylphenyl)silane is sourced from PubChem (CID 158826171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).