[2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane

C15H14Cl2FNO3Si — CID 10738140

IUPAC[2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane
SMILESC[Si](C)(C)c1c(F)ccc([N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO3Si/c1-23(2,3)15-11(18)5-6-12(19(20)21)14(15)22-13-7-4-9(16)8-10(13)17/h4-8H,1-3H3
InChIKeyLRFNNFLQQVPGBG-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.38
Rot. Bonds4

About [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane

[2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane (PubChem CID 10738140) has the molecular formula C15H14Cl2FNO3Si and a molecular weight of 374.27 g/mol. Its IUPAC name is [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane
PubChem CID10738140
Molecular FormulaC15H14Cl2FNO3Si
Molecular Weight374.27 g/mol
Exact Mass373.01
IUPAC Name[2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane
SMILESC[Si](C)(C)c1c(F)ccc([N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO3Si/c1-23(2,3)15-11(18)5-6-12(19(20)21)14(15)22-13-7-4-9(16)8-10(13)17/h4-8H,1-3H3
InChIKeyLRFNNFLQQVPGBG-UHFFFAOYSA-N
XLogP5.38
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
5-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
N-chloro-5-(2,4-dichlorophenoxy)-2-nitroaniline
CID 174878979
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]ethanone
CID 62908717
(1S)-1-[3-chloro-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831920
3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
CID 174492960
3-(2,4-dichlorophenoxy)-4-nitro-1-oxidopyridin-1-ium
CID 11771054
1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
CID 57398735
3-chloro-4-(2-fluoro-6-nitrophenoxy)benzonitrile
CID 104831691
2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
CID 71395855

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane?
The IUPAC name of [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane (CID 10738140) is [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane.
What is the SMILES notation for [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane?
The canonical SMILES for [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane is C[Si](C)(C)c1c(F)ccc([N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane?
The InChIKey is LRFNNFLQQVPGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO3Si/c1-23(2,3)15-11(18)5-6-12(19(20)21)14(15)22-13-7-4-9(16)8-10(13)17/h4-8H,1-3H3.
What are the key properties of [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane?
[2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane has a molecular weight of 374.27 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenoxy)-6-fluoro-3-nitrophenyl]-trimethylsilane is sourced from PubChem (CID 10738140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).