3-fluoro-4-formyl-2-trimethylsilylbenzonitrile

C11H12FNOSi — CID 10878717

IUPAC3-fluoro-4-formyl-2-trimethylsilylbenzonitrile
SMILESC[Si](C)(C)c1c(C#N)ccc(C=O)c1F
InChIInChI=1S/C11H12FNOSi/c1-15(2,3)11-8(6-13)4-5-9(7-14)10(11)12/h4-5,7H,1-3H3
InChIKeyKQLZUKUEIIKYLY-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.06
Rot. Bonds2

About 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile

3-fluoro-4-formyl-2-trimethylsilylbenzonitrile (PubChem CID 10878717) has the molecular formula C11H12FNOSi and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-formyl-2-trimethylsilylbenzonitrile
PubChem CID10878717
Molecular FormulaC11H12FNOSi
Molecular Weight221.31 g/mol
Exact Mass221.07
IUPAC Name3-fluoro-4-formyl-2-trimethylsilylbenzonitrile
SMILESC[Si](C)(C)c1c(C#N)ccc(C=O)c1F
InChIInChI=1S/C11H12FNOSi/c1-15(2,3)11-8(6-13)4-5-9(7-14)10(11)12/h4-5,7H,1-3H3
InChIKeyKQLZUKUEIIKYLY-UHFFFAOYSA-N
XLogP2.06
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3,6-diformylbenzonitrile
CID 171011652
(E)-3-(6-cyano-2-fluoro-3-formylphenyl)prop-2-enoic acid
CID 171017725
2,4-difluoro-5-formyl-3-methylbenzonitrile
CID 139533736
3,4-diformyl-2-methoxybenzonitrile
CID 171028234
2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
CID 14114204
3-fluoro-4-[(3-fluorophenyl)-hydroxymethyl]-2-trimethylsilylbenzonitrile
CID 22260946
methyl 6-cyano-3-formyl-2-hydroxybenzoate
CID 131610965
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
4-fluoro-5-formyl-2-methylbenzonitrile
CID 59370534
2-fluoro-5-formylbenzene-1,3-dicarbonitrile
CID 154726103
3-fluoro-2-(4-formylphenyl)-4-methylbenzonitrile
CID 121004994
3-acetyl-4-formyl-2-methoxybenzonitrile
CID 171012637

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile?
The IUPAC name of 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile (CID 10878717) is 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile.
What is the SMILES notation for 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile?
The canonical SMILES for 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile is C[Si](C)(C)c1c(C#N)ccc(C=O)c1F.
What is the InChIKey of 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile?
The InChIKey is KQLZUKUEIIKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOSi/c1-15(2,3)11-8(6-13)4-5-9(7-14)10(11)12/h4-5,7H,1-3H3.
What are the key properties of 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile?
3-fluoro-4-formyl-2-trimethylsilylbenzonitrile has a molecular weight of 221.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-formyl-2-trimethylsilylbenzonitrile is sourced from PubChem (CID 10878717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).