N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide

C28H37Cl3FNO2Si — CID 53360567

IUPACN-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide
SMILESCC(C)C[C@H](NC(=O)C(Cl)(Cl)Cl)/C(F)=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37Cl3FNO2Si/c1-20(2)17-25(33-26(34)28(29,30)31)24(32)18-21(3)19-35-36(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,18,20-21,25H,17,19H2,1-6H3,(H,33,34)/b24-18-/t21-,25+/m1/s1
InChIKeyGEADCBGCALIJPW-VCBBELCASA-N
MW573.05 g/mol
LogP6.95
Rot. Bonds10

About N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide

N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide (PubChem CID 53360567) has the molecular formula C28H37Cl3FNO2Si and a molecular weight of 573.05 g/mol. Its IUPAC name is N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide
PubChem CID53360567
Molecular FormulaC28H37Cl3FNO2Si
Molecular Weight573.05 g/mol
Exact Mass571.16
IUPAC NameN-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide
SMILESCC(C)C[C@H](NC(=O)C(Cl)(Cl)Cl)/C(F)=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37Cl3FNO2Si/c1-20(2)17-25(33-26(34)28(29,30)31)24(32)18-21(3)19-35-36(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,18,20-21,25H,17,19H2,1-6H3,(H,33,34)/b24-18-/t21-,25+/m1/s1
InChIKeyGEADCBGCALIJPW-VCBBELCASA-N
XLogP6.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.05
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide with MolForge

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Launch Full Analysis

Related Compounds

[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
benzyl (2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-yl]carbamoylamino]-4-methylpentanoyl]oxy-4-methylpentan-2-yl]carbamoylamino]-4-methylpentanoate
CID 46178216
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
CID 11374218
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10576853
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861

Frequently Asked Questions

What is the IUPAC name of N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide (CID 53360567) is N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide is CC(C)C[C@H](NC(=O)C(Cl)(Cl)Cl)/C(F)=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide?
The InChIKey is GEADCBGCALIJPW-VCBBELCASA-N. The full InChI is InChI=1S/C28H37Cl3FNO2Si/c1-20(2)17-25(33-26(34)28(29,30)31)24(32)18-21(3)19-35-36(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,18,20-21,25H,17,19H2,1-6H3,(H,33,34)/b24-18-/t21-,25+/m1/s1.
What are the key properties of N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide?
N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide has a molecular weight of 573.05 g/mol, XLogP of 6.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 53360567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).