(4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane

C23H21ClF2OSi — CID 22013140

IUPAC(4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane
SMILESC[Si](C)(/C(F)=C(/F)Cc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClF2OSi/c1-28(2,21-13-11-18(24)12-14-21)23(26)22(25)16-17-7-6-10-20(15-17)27-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3/b23-22+
InChIKeyAXYCSMFKCAHJJM-GHVJWSGMSA-N
MW414.96 g/mol
LogP6.98
Rot. Bonds6

About (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane

(4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane (PubChem CID 22013140) has the molecular formula C23H21ClF2OSi and a molecular weight of 414.96 g/mol. Its IUPAC name is (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane.

Molecular Properties

Compound Name(4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane
PubChem CID22013140
Molecular FormulaC23H21ClF2OSi
Molecular Weight414.96 g/mol
Exact Mass414.10
IUPAC Name(4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane
SMILESC[Si](C)(/C(F)=C(/F)Cc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClF2OSi/c1-28(2,21-13-11-18(24)12-14-21)23(26)22(25)16-17-7-6-10-20(15-17)27-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3/b23-22+
InChIKeyAXYCSMFKCAHJJM-GHVJWSGMSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane?
The IUPAC name of (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane (CID 22013140) is (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane.
What is the SMILES notation for (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane?
The canonical SMILES for (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane is C[Si](C)(/C(F)=C(/F)Cc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane?
The InChIKey is AXYCSMFKCAHJJM-GHVJWSGMSA-N. The full InChI is InChI=1S/C23H21ClF2OSi/c1-28(2,21-13-11-18(24)12-14-21)23(26)22(25)16-17-7-6-10-20(15-17)27-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3/b23-22+.
What are the key properties of (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane?
(4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane has a molecular weight of 414.96 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(E)-1,2-difluoro-3-(3-phenoxyphenyl)prop-1-enyl]-dimethylsilane is sourced from PubChem (CID 22013140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).