(3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile

C7H12F3NOSi — CID 125492395

IUPAC(3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile
SMILESC[Si](C)(C)O[C@H](CC#N)C(F)(F)F
InChIInChI=1S/C7H12F3NOSi/c1-13(2,3)12-6(4-5-11)7(8,9)10/h6H,4H2,1-3H3/t6-/m1/s1
InChIKeyUKMXIRHPJUJMFQ-ZCFIWIBFSA-N
MW211.26 g/mol
LogP2.68
Rot. Bonds3

About (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile

(3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile (PubChem CID 125492395) has the molecular formula C7H12F3NOSi and a molecular weight of 211.26 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile
PubChem CID125492395
Molecular FormulaC7H12F3NOSi
Molecular Weight211.26 g/mol
Exact Mass211.06
IUPAC Name(3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile
SMILESC[Si](C)(C)O[C@H](CC#N)C(F)(F)F
InChIInChI=1S/C7H12F3NOSi/c1-13(2,3)12-6(4-5-11)7(8,9)10/h6H,4H2,1-3H3/t6-/m1/s1
InChIKeyUKMXIRHPJUJMFQ-ZCFIWIBFSA-N
XLogP2.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile
CID 125492394
[(2S)-3-cyano-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate
CID 10014288
4,4,4-trifluoro-3-methylbutanenitrile
CID 83681754
(3R)-3-trimethylsilyloxyhex-5-enenitrile
CID 132509997
2-(1,1,1-trifluoropropan-2-yloxy)acetonitrile
CID 66276756
3-(2,2,2-trifluoroethoxy)butanenitrile
CID 114995231
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
CID 5097328
1,1,1-trifluoro-5-methyl-2-trimethylsilyloxyhexan-3-amine
CID 112548377
(E,3R)-5-ethoxy-5-hydroxy-3-(trifluoromethyl)pent-4-enenitrile
CID 97136645
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
CID 11087733
(1-cyano-3,3-dimethylbutan-2-yl) carbamate
CID 89240462
(2S)-3-methyl-2-trimethylsilyloxybutanenitrile
CID 102329282

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile?
The IUPAC name of (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile (CID 125492395) is (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile is C[Si](C)(C)O[C@H](CC#N)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile?
The InChIKey is UKMXIRHPJUJMFQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3NOSi/c1-13(2,3)12-6(4-5-11)7(8,9)10/h6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile?
(3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile has a molecular weight of 211.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 125492395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).