[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane

C21H25F2N3OSi — CID 58682743

IUPAC[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1[C@H](CN=[N+]=[N-])C1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25F2N3OSi/c1-20(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)27-15-19-18(14-25-26-24)21(19,22)23/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyBTEDMUCFDZIOPR-OALUTQOASA-N
MW401.53 g/mol
LogP4.75
Rot. Bonds7

About [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane

[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 58682743) has the molecular formula C21H25F2N3OSi and a molecular weight of 401.53 g/mol. Its IUPAC name is [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane
PubChem CID58682743
Molecular FormulaC21H25F2N3OSi
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1[C@H](CN=[N+]=[N-])C1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25F2N3OSi/c1-20(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)27-15-19-18(14-25-26-24)21(19,22)23/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyBTEDMUCFDZIOPR-OALUTQOASA-N
XLogP4.75
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[3-(Azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 21044037
Tert-butyl-[2-(2,2-difluorocyclopropyl)ethoxy]-diphenylsilane
CID 89872432
[3-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine
CID 139985285
[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane;[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]methanol
CID 161569804
[(1S,4S)-4-azido-2,2-difluorocyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 16203548
(3-Azidocyclobutyl)methoxy-tert-butyl-diphenylsilane
CID 53688452
[2-(Azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 85095019
[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine
CID 85108691
[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane
CID 90132283
[(Z)-10-azidodec-5-enoxy]-tert-butyl-diphenylsilane
CID 90132311
11-Azidoundec-6-enoxy-tert-butyl-diphenylsilane
CID 123300702
10-Azidodec-5-enoxy-tert-butyl-diphenylsilane
CID 123780813

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane (CID 58682743) is [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1[C@H](CN=[N+]=[N-])C1(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BTEDMUCFDZIOPR-OALUTQOASA-N. The full InChI is InChI=1S/C21H25F2N3OSi/c1-20(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)27-15-19-18(14-25-26-24)21(19,22)23/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane?
[(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 401.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(azidomethyl)-2,2-difluorocyclopropyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 58682743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).