[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane

C17H18ClF3Si — CID 162406459

IUPAC[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc([C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1
InChIInChI=1S/C17H18ClF3Si/c1-22(2,3)15-10-6-13(7-11-15)16(17(19,20)21)12-4-8-14(18)9-5-12/h4-11,16H,1-3H3/t16-/m1/s1
InChIKeyCYGOLBBMKGFPEZ-MRXNPFEDSA-N
MW342.86 g/mol
LogP5.58
Rot. Bonds3

About [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane

[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane (PubChem CID 162406459) has the molecular formula C17H18ClF3Si and a molecular weight of 342.86 g/mol. Its IUPAC name is [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane
PubChem CID162406459
Molecular FormulaC17H18ClF3Si
Molecular Weight342.86 g/mol
Exact Mass342.08
IUPAC Name[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc([C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1
InChIInChI=1S/C17H18ClF3Si/c1-22(2,3)15-10-6-13(7-11-15)16(17(19,20)21)12-4-8-14(18)9-5-12/h4-11,16H,1-3H3/t16-/m1/s1
InChIKeyCYGOLBBMKGFPEZ-MRXNPFEDSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.86
LogP ≤ 55.58
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

1,1-Bis(4-chlorophenyl)ethane
CID 19076
1,1-Bis(p-chlorophenyl)-2,2,2-trifluoroethane
CID 67761
Benzene, 1,1'-(2,2-dimethylpropylidene)bis(4-chloro-
CID 167830
1,1'-(2-Methylpropane-1,1-diyl)bis(4-chlorobenzene)
CID 173881
4''-Chloro-2',2''-difluoro-4-pentyl-1,1':4',1''-terphenyl
CID 19975056
1-Chloro-4-(4-pentylcyclohexyl)benzene
CID 11832311
4-Butyl-4''-chloro-2',3-difluoro-1,1':4',1''-terphenyl
CID 23391144
4''-Chloro-2',3-difluoro-4-pentyl-1,1':4',1''-terphenyl
CID 23391191
4''-Chloro-2',3-difluoro-4-propyl-1,1':4',1''-terphenyl
CID 23391192
Bis(4-chlorophenyl)difluoromethane
CID 10967670
Benzene, 1-chloro-4-(1-phenylethyl)-
CID 11063863
1-Chloro-4-[difluoro(phenyl)methyl]benzene
CID 15643484

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane (CID 162406459) is [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc([C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1.
What is the InChIKey of [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane?
The InChIKey is CYGOLBBMKGFPEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClF3Si/c1-22(2,3)15-10-6-13(7-11-15)16(17(19,20)21)12-4-8-14(18)9-5-12/h4-11,16H,1-3H3/t16-/m1/s1.
What are the key properties of [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane?
[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane has a molecular weight of 342.86 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane is sourced from PubChem (CID 162406459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).