1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine

C23H31F2NOSi — CID 174058685

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine
SMILESC=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NCCC(F)F
InChIInChI=1S/C23H31F2NOSi/c1-5-19(26-17-16-22(24)25)18-27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h5-15,19,22,26H,1,16-18H2,2-4H3
InChIKeyFZFKJZIMFPWTJY-UHFFFAOYSA-N
MW403.59 g/mol
LogP4.36
Rot. Bonds10

About 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine

1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine (PubChem CID 174058685) has the molecular formula C23H31F2NOSi and a molecular weight of 403.59 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine
PubChem CID174058685
Molecular FormulaC23H31F2NOSi
Molecular Weight403.59 g/mol
Exact Mass403.21
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine
SMILESC=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NCCC(F)F
InChIInChI=1S/C23H31F2NOSi/c1-5-19(26-17-16-22(24)25)18-27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h5-15,19,22,26H,1,16-18H2,2-4H3
InChIKeyFZFKJZIMFPWTJY-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine (CID 174058685) is 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine is C=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NCCC(F)F.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine?
The InChIKey is FZFKJZIMFPWTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2NOSi/c1-5-19(26-17-16-22(24)25)18-27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h5-15,19,22,26H,1,16-18H2,2-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine?
1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine has a molecular weight of 403.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine is sourced from PubChem (CID 174058685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).