3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine

C19H25F2NOSi — CID 174058455

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine
SMILESCC(C)(C)[Si](OCC(N)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25F2NOSi/c1-19(2,3)24(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17(22)18(20)21/h4-13,17-18H,14,22H2,1-3H3
InChIKeyUQXFIOCVYSZOQY-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.16
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine

3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine (PubChem CID 174058455) has the molecular formula C19H25F2NOSi and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine
PubChem CID174058455
Molecular FormulaC19H25F2NOSi
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine
SMILESCC(C)(C)[Si](OCC(N)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25F2NOSi/c1-19(2,3)24(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17(22)18(20)21/h4-13,17-18H,14,22H2,1-3H3
InChIKeyUQXFIOCVYSZOQY-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.16
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]oxy-1,1-difluoropropan-2-amine?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine (CID 174058455) is 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine is CC(C)(C)[Si](OCC(N)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine?
The InChIKey is UQXFIOCVYSZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NOSi/c1-19(2,3)24(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17(22)18(20)21/h4-13,17-18H,14,22H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine?
3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine has a molecular weight of 349.50 g/mol, XLogP of 3.16, 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]oxy-1,1-difluoropropan-2-amine is sourced from PubChem (CID 174058455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).