(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine

C21H34FNOSi — CID 70365587

IUPAC(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine
SMILESCC(C)(C)[Si](C)(C)OCC1CCC/C1=C(/F)C(N)Cc1ccccc1
InChIInChI=1S/C21H34FNOSi/c1-21(2,3)25(4,5)24-15-17-12-9-13-18(17)20(22)19(23)14-16-10-7-6-8-11-16/h6-8,10-11,17,19H,9,12-15,23H2,1-5H3/b20-18-
InChIKeyBKQQKVLOQILVMP-ZZEZOPTASA-N
MW363.59 g/mol
LogP5.60
Rot. Bonds6

About (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine

(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine (PubChem CID 70365587) has the molecular formula C21H34FNOSi and a molecular weight of 363.59 g/mol. Its IUPAC name is (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine
PubChem CID70365587
Molecular FormulaC21H34FNOSi
Molecular Weight363.59 g/mol
Exact Mass363.24
IUPAC Name(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine
SMILESCC(C)(C)[Si](C)(C)OCC1CCC/C1=C(/F)C(N)Cc1ccccc1
InChIInChI=1S/C21H34FNOSi/c1-21(2,3)25(4,5)24-15-17-12-9-13-18(17)20(22)19(23)14-16-10-7-6-8-11-16/h6-8,10-11,17,19H,9,12-15,23H2,1-5H3/b20-18-
InChIKeyBKQQKVLOQILVMP-ZZEZOPTASA-N
XLogP5.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.60
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 (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine?
The IUPAC name of (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine (CID 70365587) is (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine.
What is the SMILES notation for (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine?
The canonical SMILES for (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine is CC(C)(C)[Si](C)(C)OCC1CCC/C1=C(/F)C(N)Cc1ccccc1.
What is the InChIKey of (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine?
The InChIKey is BKQQKVLOQILVMP-ZZEZOPTASA-N. The full InChI is InChI=1S/C21H34FNOSi/c1-21(2,3)25(4,5)24-15-17-12-9-13-18(17)20(22)19(23)14-16-10-7-6-8-11-16/h6-8,10-11,17,19H,9,12-15,23H2,1-5H3/b20-18-.
What are the key properties of (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine?
(1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine has a molecular weight of 363.59 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentylidene]-1-fluoro-3-phenylpropan-2-amine is sourced from PubChem (CID 70365587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).