N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline

C16H23F2NOSi — CID 101271042

IUPACN-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CN(C(=C(F)F)[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H23F2NOSi/c1-12(2)11-19(16(15(17)18)21(4,5)6)13-7-9-14(20-3)10-8-13/h7-10H,1,11H2,2-6H3
InChIKeyXHRVTWLBNXPNCH-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.06
Rot. Bonds6

About N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline

N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline (PubChem CID 101271042) has the molecular formula C16H23F2NOSi and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound NameN-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline
PubChem CID101271042
Molecular FormulaC16H23F2NOSi
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CN(C(=C(F)F)[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H23F2NOSi/c1-12(2)11-19(16(15(17)18)21(4,5)6)13-7-9-14(20-3)10-8-13/h7-10H,1,11H2,2-6H3
InChIKeyXHRVTWLBNXPNCH-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline?
The IUPAC name of N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline (CID 101271042) is N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline?
The canonical SMILES for N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline is C=C(C)CN(C(=C(F)F)[Si](C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline?
The InChIKey is XHRVTWLBNXPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NOSi/c1-12(2)11-19(16(15(17)18)21(4,5)6)13-7-9-14(20-3)10-8-13/h7-10H,1,11H2,2-6H3.
What are the key properties of N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline?
N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline has a molecular weight of 311.45 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1-trimethylsilylethenyl)-4-methoxy-N-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 101271042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).