[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine

C21H27F2NOSi — CID 139985285

IUPAC[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine
SMILESCC(C)(C)[Si](OCC1C(CN)C1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F2NOSi/c1-20(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-19-18(14-24)21(19,22)23/h4-13,18-19H,14-15,24H2,1-3H3
InChIKeyBRVFOHOPSAZXSE-UHFFFAOYSA-N
MW375.53 g/mol
LogP3.40
Rot. Bonds6

About [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine

[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine (PubChem CID 139985285) has the molecular formula C21H27F2NOSi and a molecular weight of 375.53 g/mol. Its IUPAC name is [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine.

Molecular Properties

Compound Name[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine
PubChem CID139985285
Molecular FormulaC21H27F2NOSi
Molecular Weight375.53 g/mol
Exact Mass375.18
IUPAC Name[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine
SMILESCC(C)(C)[Si](OCC1C(CN)C1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F2NOSi/c1-20(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-19-18(14-24)21(19,22)23/h4-13,18-19H,14-15,24H2,1-3H3
InChIKeyBRVFOHOPSAZXSE-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine?
The IUPAC name of [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine (CID 139985285) is [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine.
What is the SMILES notation for [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine?
The canonical SMILES for [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine is CC(C)(C)[Si](OCC1C(CN)C1(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine?
The InChIKey is BRVFOHOPSAZXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2NOSi/c1-20(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-19-18(14-24)21(19,22)23/h4-13,18-19H,14-15,24H2,1-3H3.
What are the key properties of [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine?
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine has a molecular weight of 375.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine is sourced from PubChem (CID 139985285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).