N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide

C14H28F3NO2Si — CID 156694094

IUPACN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C14H28F3NO2Si/c1-12(2,3)10(18-11(19)14(15,16)17)9-20-21(7,8)13(4,5)6/h10H,9H2,1-8H3,(H,18,19)/t10-/m1/s1
InChIKeyCTYVTVFMDQOMSI-SNVBAGLBSA-N
MW327.46 g/mol
LogP4.10
Rot. Bonds4

About N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide

N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 156694094) has the molecular formula C14H28F3NO2Si and a molecular weight of 327.46 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID156694094
Molecular FormulaC14H28F3NO2Si
Molecular Weight327.46 g/mol
Exact Mass327.18
IUPAC NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C14H28F3NO2Si/c1-12(2,3)10(18-11(19)14(15,16)17)9-20-21(7,8)13(4,5)6/h10H,9H2,1-8H3,(H,18,19)/t10-/m1/s1
InChIKeyCTYVTVFMDQOMSI-SNVBAGLBSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
5-[[1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]carbamoyl]-2-(trifluoromethylsulfonyloxy)benzoic acid
CID 91389517
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
N-[(2S)-3,3-dimethyl-1-piperidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 10540713
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
CID 87421528

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide (CID 156694094) is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide is CC(C)(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is CTYVTVFMDQOMSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H28F3NO2Si/c1-12(2,3)10(18-11(19)14(15,16)17)9-20-21(7,8)13(4,5)6/h10H,9H2,1-8H3,(H,18,19)/t10-/m1/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 327.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156694094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).