[2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol

C16H24F2O3Si — CID 15469786

IUPAC[2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol
SMILESCOc1ccc(COCC2C(F)(F)C2(CO)[Si](C)(C)C)cc1
InChIInChI=1S/C16H24F2O3Si/c1-20-13-7-5-12(6-8-13)9-21-10-14-15(11-19,16(14,17)18)22(2,3)4/h5-8,14,19H,9-11H2,1-4H3
InChIKeyJVUAFMPTYYLFHF-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.55
Rot. Bonds7

About [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol

[2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol (PubChem CID 15469786) has the molecular formula C16H24F2O3Si and a molecular weight of 330.45 g/mol. Its IUPAC name is [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol
PubChem CID15469786
Molecular FormulaC16H24F2O3Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name[2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol
SMILESCOc1ccc(COCC2C(F)(F)C2(CO)[Si](C)(C)C)cc1
InChIInChI=1S/C16H24F2O3Si/c1-20-13-7-5-12(6-8-13)9-21-10-14-15(11-19,16(14,17)18)22(2,3)4/h5-8,14,19H,9-11H2,1-4H3
InChIKeyJVUAFMPTYYLFHF-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol?
The IUPAC name of [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol (CID 15469786) is [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol.
What is the SMILES notation for [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol?
The canonical SMILES for [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol is COc1ccc(COCC2C(F)(F)C2(CO)[Si](C)(C)C)cc1.
What is the InChIKey of [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol?
The InChIKey is JVUAFMPTYYLFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O3Si/c1-20-13-7-5-12(6-8-13)9-21-10-14-15(11-19,16(14,17)18)22(2,3)4/h5-8,14,19H,9-11H2,1-4H3.
What are the key properties of [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol?
[2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol has a molecular weight of 330.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-3-[(4-methoxyphenyl)methoxymethyl]-1-trimethylsilylcyclopropyl]methanol is sourced from PubChem (CID 15469786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).