[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane

C17H26F2OSi — CID 25243104

IUPAC[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/Cc1ccc(OC)cc1)C(F)F
InChIInChI=1S/C17H26F2OSi/c1-5-21(6-2,7-3)16(17(18)19)13-10-14-8-11-15(20-4)12-9-14/h8-9,11-13,17H,5-7,10H2,1-4H3/b16-13+
InChIKeyVDTQTWRNGGQHLU-DTQAZKPQSA-N
MW312.48 g/mol
LogP5.48
Rot. Bonds8

About [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane

[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane (PubChem CID 25243104) has the molecular formula C17H26F2OSi and a molecular weight of 312.48 g/mol. Its IUPAC name is [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane.

Molecular Properties

Compound Name[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane
PubChem CID25243104
Molecular FormulaC17H26F2OSi
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/Cc1ccc(OC)cc1)C(F)F
InChIInChI=1S/C17H26F2OSi/c1-5-21(6-2,7-3)16(17(18)19)13-10-14-8-11-15(20-4)12-9-14/h8-9,11-13,17H,5-7,10H2,1-4H3/b16-13+
InChIKeyVDTQTWRNGGQHLU-DTQAZKPQSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol
CID 25243269
triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane
CID 25242885
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
triethyl-[(E)-1-(4-methoxyphenyl)prop-1-enyl]silane
CID 164735856
dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate
CID 141473731
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779

Frequently Asked Questions

What is the IUPAC name of [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane?
The IUPAC name of [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane (CID 25243104) is [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane.
What is the SMILES notation for [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane?
The canonical SMILES for [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane is CC[Si](CC)(CC)/C(=C/Cc1ccc(OC)cc1)C(F)F.
What is the InChIKey of [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane?
The InChIKey is VDTQTWRNGGQHLU-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H26F2OSi/c1-5-21(6-2,7-3)16(17(18)19)13-10-14-8-11-15(20-4)12-9-14/h8-9,11-13,17H,5-7,10H2,1-4H3/b16-13+.
What are the key properties of [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane?
[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane has a molecular weight of 312.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane is sourced from PubChem (CID 25243104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).