trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane

C17H19F3Si — CID 102409613

IUPACtrimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)cccc1[Si](C)(C)C
InChIInChI=1S/C17H19F3Si/c1-12-15(6-5-7-16(12)21(2,3)4)13-8-10-14(11-9-13)17(18,19)20/h5-11H,1-4H3
InChIKeyUZKJBYHVRQLSTF-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.23
Rot. Bonds2

About trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane

trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 102409613) has the molecular formula C17H19F3Si and a molecular weight of 308.42 g/mol. Its IUPAC name is trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID102409613
Molecular FormulaC17H19F3Si
Molecular Weight308.42 g/mol
Exact Mass308.12
IUPAC Nametrimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)cccc1[Si](C)(C)C
InChIInChI=1S/C17H19F3Si/c1-12-15(6-5-7-16(12)21(2,3)4)13-8-10-14(11-9-13)17(18,19)20/h5-11H,1-4H3
InChIKeyUZKJBYHVRQLSTF-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Trifluoromethylbiphenyl
CID 9877863
4-Pentylbiphenyl
CID 81546
1,1'-Biphenyl, 4-octyl-
CID 201918
4-(Trimethylsilyl)biphenyl
CID 298146
4,4'-Diethylbiphenyl
CID 42292
1,1'-Biphenyl, 2,2'-diethyl-
CID 83081
2,4'-Dimethylbiphenyl
CID 123078
2,2'-Dimethylbibenzyl
CID 136769
1,1'-Biphenyl, 2,2',5,5'-tetramethyl-
CID 137818
3,3',4,4'-Tetramethylbiphenyl
CID 21029
1,4-Dimethyl-2-[(4-methylphenyl)methyl]benzene
CID 607046
1,1'-Biphenyl, 4-heptyl-
CID 108798

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane (CID 102409613) is trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane is Cc1c(-c2ccc(C(F)(F)F)cc2)cccc1[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is UZKJBYHVRQLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3Si/c1-12-15(6-5-7-16(12)21(2,3)4)13-8-10-14(11-9-13)17(18,19)20/h5-11H,1-4H3.
What are the key properties of trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane?
trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 308.42 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 102409613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).