2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane

C10H12ClF3Si — CID 123252652

IUPAC2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane
SMILESCC(C)(Cl)[SiH](c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12ClF3Si/c1-9(2,11)15(10(12,13)14)8-6-4-3-5-7-8/h3-7,15H,1-2H3
InChIKeyIZAHHOZEPVFHJY-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.78
Rot. Bonds2

About 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane

2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane (PubChem CID 123252652) has the molecular formula C10H12ClF3Si and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane.

Molecular Properties

Compound Name2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane
PubChem CID123252652
Molecular FormulaC10H12ClF3Si
Molecular Weight252.74 g/mol
Exact Mass252.03
IUPAC Name2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane
SMILESCC(C)(Cl)[SiH](c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12ClF3Si/c1-9(2,11)15(10(12,13)14)8-6-4-3-5-7-8/h3-7,15H,1-2H3
InChIKeyIZAHHOZEPVFHJY-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromo-tert-butyl-phenylsilane
CID 123583339
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
1,1-difluoroethylbenzene
CID 10942535
2-chloro-2-methylpropane;toluene
CID 67707971
phenoxy-phenyl-(trifluoromethyl)silane
CID 123142407
N-diphenylsilyl-2-methylpropan-2-amine
CID 101496715
bromo(diphenyl)silane
CID 102303968
benzene;1,1,1-trifluoroethane
CID 91299000
[(Z)-8-chloro-5,5,6,6,7,7,8,8-octafluoro-2,2-dimethyloct-3-en-3-yl]benzene
CID 100930806
dimethyl(phenyl)silane;hydrochloride
CID 172741806
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tetrachloromethane;toluene
CID 172748154

Frequently Asked Questions

What is the IUPAC name of 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane?
The IUPAC name of 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane (CID 123252652) is 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane.
What is the SMILES notation for 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane?
The canonical SMILES for 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane is CC(C)(Cl)[SiH](c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane?
The InChIKey is IZAHHOZEPVFHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3Si/c1-9(2,11)15(10(12,13)14)8-6-4-3-5-7-8/h3-7,15H,1-2H3.
What are the key properties of 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane?
2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane has a molecular weight of 252.74 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropan-2-yl-phenyl-(trifluoromethyl)silane is sourced from PubChem (CID 123252652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).