phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate

C20H25F3N2O3Si — CID 169322761

IUPACphenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(NC(=O)Oc2ccccc2)cn1)C(F)(F)F
InChIInChI=1S/C20H25F3N2O3Si/c1-19(2,3)29(4,5)28-17(20(21,22)23)16-12-11-14(13-24-16)25-18(26)27-15-9-7-6-8-10-15/h6-13,17H,1-5H3,(H,25,26)
InChIKeyKCPUHPSSZWBXMQ-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.32
Rot. Bonds5

About phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate

phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate (PubChem CID 169322761) has the molecular formula C20H25F3N2O3Si and a molecular weight of 426.51 g/mol. Its IUPAC name is phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate
PubChem CID169322761
Molecular FormulaC20H25F3N2O3Si
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Namephenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(NC(=O)Oc2ccccc2)cn1)C(F)(F)F
InChIInChI=1S/C20H25F3N2O3Si/c1-19(2,3)29(4,5)28-17(20(21,22)23)16-12-11-14(13-24-16)25-18(26)27-15-9-7-6-8-10-15/h6-13,17H,1-5H3,(H,25,26)
InChIKeyKCPUHPSSZWBXMQ-UHFFFAOYSA-N
XLogP6.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930
phenyl N-(4-iodophenyl)carbamate
CID 73442286
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
phenyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-pyridinyl]carbamate
CID 86676146
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
CID 66876524
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189356
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
CID 169322759
phenyl N-[5-(2-cyclopropylethynyl)-6-(1,1-difluoroethyl)-3-pyridinyl]carbamate
CID 176654544

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate (CID 169322761) is phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate is CC(C)(C)[Si](C)(C)OC(c1ccc(NC(=O)Oc2ccccc2)cn1)C(F)(F)F.
What is the InChIKey of phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate?
The InChIKey is KCPUHPSSZWBXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3Si/c1-19(2,3)29(4,5)28-17(20(21,22)23)16-12-11-14(13-24-16)25-18(26)27-15-9-7-6-8-10-15/h6-13,17H,1-5H3,(H,25,26).
What are the key properties of phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate?
phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate has a molecular weight of 426.51 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 169322761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).