(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

C14H18FNOSi — CID 102101001

IUPAC(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)O[C@@]1(C#N)c2ccccc2CC[C@H]1F
InChIInChI=1S/C14H18FNOSi/c1-18(2,3)17-14(10-16)12-7-5-4-6-11(12)8-9-13(14)15/h4-7,13H,8-9H2,1-3H3/t13-,14+/m1/s1
InChIKeyJNZLMZNMGPDTOF-KGLIPLIRSA-N
MW263.39 g/mol
LogP3.54
Rot. Bonds2

About (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 102101001) has the molecular formula C14H18FNOSi and a molecular weight of 263.39 g/mol. Its IUPAC name is (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID102101001
Molecular FormulaC14H18FNOSi
Molecular Weight263.39 g/mol
Exact Mass263.11
IUPAC Name(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)O[C@@]1(C#N)c2ccccc2CC[C@H]1F
InChIInChI=1S/C14H18FNOSi/c1-18(2,3)17-14(10-16)12-7-5-4-6-11(12)8-9-13(14)15/h4-7,13H,8-9H2,1-3H3/t13-,14+/m1/s1
InChIKeyJNZLMZNMGPDTOF-KGLIPLIRSA-N
XLogP3.54
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.54
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

2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
1-Trimethylsilyloxy-1-cyano-1,2,3,4-tetrahydronaphthalene
CID 11746907
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
(2S)-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 12076945
trimethyl-[[1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-yl]oxy]silane
CID 73409042
(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane
CID 122399013
2-(2,4,6-Trimethylphenyl)-2-trimethylsiloxy-3,3,3-trifluoropropionitrile
CID 129812610
4,4,4-Trifluoro-3-phenyl-3-trimethylsilyloxybutanenitrile
CID 135005257
2-Phenyl-2-trimethylsiloxy-3,3-dimethylbutyronitrile
CID 12439568
2-Phenyl-2-trimethylsilyloxypropanenitrile
CID 9899312
2-Naphthalen-1-yl-2-trimethylsilyloxypropanenitrile
CID 10659616

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 102101001) is (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is C[Si](C)(C)O[C@@]1(C#N)c2ccccc2CC[C@H]1F.
What is the InChIKey of (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is JNZLMZNMGPDTOF-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18FNOSi/c1-18(2,3)17-14(10-16)12-7-5-4-6-11(12)8-9-13(14)15/h4-7,13H,8-9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
(1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 263.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-fluoro-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 102101001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).