tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane

C16H24ClFOSi — CID 175784669

IUPACtert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](F)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClFOSi/c1-16(2,3)20(4,5)19-10-13-14(15(13)18)11-7-6-8-12(17)9-11/h6-9,13-15H,10H2,1-5H3/t13-,14-,15+/m1/s1
InChIKeyKMIGADMZJNCSFY-KFWWJZLASA-N
MW314.90 g/mol
LogP5.41
Rot. Bonds4

About tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane (PubChem CID 175784669) has the molecular formula C16H24ClFOSi and a molecular weight of 314.90 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane
PubChem CID175784669
Molecular FormulaC16H24ClFOSi
Molecular Weight314.90 g/mol
Exact Mass314.13
IUPAC Nametert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](F)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClFOSi/c1-16(2,3)20(4,5)19-10-13-14(15(13)18)11-7-6-8-12(17)9-11/h6-9,13-15H,10H2,1-5H3/t13-,14-,15+/m1/s1
InChIKeyKMIGADMZJNCSFY-KFWWJZLASA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(3S)-3-(4-chloro-3-fluorophenyl)butoxy]-dimethylsilane
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2-chloro-1-fluoro-4-[(2R)-1-methoxy-3-methylbutan-2-yl]benzene
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2-Chloro-1-fluoro-4-(1-methoxy-3-methylbutan-2-yl)benzene
CID 126732741
[(1S,2R)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
CID 140275085
2-chloro-1-fluoro-4-[(2S)-1-methoxypentan-2-yl]benzene
CID 144850303
tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
CID 147593706
Tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane (CID 175784669) is tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](F)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane?
The InChIKey is KMIGADMZJNCSFY-KFWWJZLASA-N. The full InChI is InChI=1S/C16H24ClFOSi/c1-16(2,3)20(4,5)19-10-13-14(15(13)18)11-7-6-8-12(17)9-11/h6-9,13-15H,10H2,1-5H3/t13-,14-,15+/m1/s1.
What are the key properties of tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane has a molecular weight of 314.90 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane is sourced from PubChem (CID 175784669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).