[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane

C14H20F2OSi — CID 10989341

IUPAC[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1[C@H](COCc2ccccc2)C1(F)F
InChIInChI=1S/C14H20F2OSi/c1-18(2,3)13-12(14(13,15)16)10-17-9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyLQLYHLCRMFOTGH-STQMWFEESA-N
MW270.39 g/mol
LogP4.18
Rot. Bonds5

About [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane

[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane (PubChem CID 10989341) has the molecular formula C14H20F2OSi and a molecular weight of 270.39 g/mol. Its IUPAC name is [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane
PubChem CID10989341
Molecular FormulaC14H20F2OSi
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1[C@H](COCc2ccccc2)C1(F)F
InChIInChI=1S/C14H20F2OSi/c1-18(2,3)13-12(14(13,15)16)10-17-9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyLQLYHLCRMFOTGH-STQMWFEESA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 54.18
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

trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
ethane;phenylmethoxymethylbenzene
CID 90943549
3,3-difluoro-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 123956429
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
N-ethyl-N-[[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl]ethanamine
CID 101140300
[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
CID 164670390
(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol
CID 135014548
[(1S,2R,4S)-3,3-diethoxy-2-fluoro-4-(phenylmethoxymethyl)cyclobutyl]methoxymethylbenzene
CID 67751523
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2S,3R,4R,6R)-5,5-difluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 86619972
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane?
The IUPAC name of [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane (CID 10989341) is [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane.
What is the SMILES notation for [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane?
The canonical SMILES for [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane is C[Si](C)(C)[C@H]1[C@H](COCc2ccccc2)C1(F)F.
What is the InChIKey of [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane?
The InChIKey is LQLYHLCRMFOTGH-STQMWFEESA-N. The full InChI is InChI=1S/C14H20F2OSi/c1-18(2,3)13-12(14(13,15)16)10-17-9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane?
[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane has a molecular weight of 270.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane is sourced from PubChem (CID 10989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).