[1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane

C19H28F3NOSi — CID 141473828

IUPAC[1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(C(F)(F)F)CN1Cc1ccccc1
InChIInChI=1S/C19H28F3NOSi/c1-18(2,3)25(4,5)24-14-17-11-16(19(20,21)22)13-23(17)12-15-9-7-6-8-10-15/h6-11,17H,12-14H2,1-5H3
InChIKeyHIZXKHJHWZYEPD-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.38
Rot. Bonds5

About [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane

[1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 141473828) has the molecular formula C19H28F3NOSi and a molecular weight of 371.52 g/mol. Its IUPAC name is [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID141473828
Molecular FormulaC19H28F3NOSi
Molecular Weight371.52 g/mol
Exact Mass371.19
IUPAC Name[1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(C(F)(F)F)CN1Cc1ccccc1
InChIInChI=1S/C19H28F3NOSi/c1-18(2,3)25(4,5)24-14-17-11-16(19(20,21)22)13-23(17)12-15-9-7-6-8-10-15/h6-11,17H,12-14H2,1-5H3
InChIKeyHIZXKHJHWZYEPD-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl(2,2,2-trifluoro-1-methoxyethyl)((trimethylsilyl)methyl)amine
CID 71534067
[(2S,3S)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014998
1-Benzyl-4-(2,2,2-trifluoro-1-(trimethylsilyloxy)ethyl)piperazine
CID 11371414
(S,Z)-N-Benzyl-4-((tert-butyldimethylsilyl)oxy)-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine
CID 134813823
(S)-2-((tert-Butyldimethylsilyl)oxy)-N-((R)-1-(4-fluorophenyl)ethyl)penta-1,4-dien-3-amine
CID 134813839
(S,Z)-N-Benzyl-4-((tert-butyldimethylsilyl)oxy)-9-fluoronona-1,4-dien-3-amine
CID 134813866
2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
CID 134940928
(E,1S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 135001042
[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010175
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 135054227
(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine
CID 164682511

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane (CID 141473828) is [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C=C(C(F)(F)F)CN1Cc1ccccc1.
What is the InChIKey of [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is HIZXKHJHWZYEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NOSi/c1-18(2,3)25(4,5)24-14-17-11-16(19(20,21)22)13-23(17)12-15-9-7-6-8-10-15/h6-11,17H,12-14H2,1-5H3.
What are the key properties of [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane?
[1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 371.52 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(trifluoromethyl)-2,5-dihydropyrrol-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 141473828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).