(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C15H11ClF5NO3Si — CID 91736361

IUPAC(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H11ClF5NO3Si/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-6-7-5-8(22(23)24)3-4-9(7)16/h3-5H,6H2,1-2H3
InChIKeyWNEXNFTWAJWBJP-UHFFFAOYSA-N
MW411.79 g/mol
LogP4.57
Rot. Bonds5

About (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91736361) has the molecular formula C15H11ClF5NO3Si and a molecular weight of 411.79 g/mol. Its IUPAC name is (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91736361
Molecular FormulaC15H11ClF5NO3Si
Molecular Weight411.79 g/mol
Exact Mass411.01
IUPAC Name(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H11ClF5NO3Si/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-6-7-5-8(22(23)24)3-4-9(7)16/h3-5H,6H2,1-2H3
InChIKeyWNEXNFTWAJWBJP-UHFFFAOYSA-N
XLogP4.57
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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

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2-(butoxymethyl)-1-chloro-4-nitrobenzene
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1-chloro-4-nitro-2-(pentan-2-yloxymethyl)benzene
CID 102981474
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-4-nitrobenzene
CID 112587537
2-[(4-bromo-3-methylphenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83133517
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83231215
N-[(2-chloro-5-nitrophenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60733726
(2-chloro-5-nitrophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
CID 91725558

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 91736361) is (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(OCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is WNEXNFTWAJWBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF5NO3Si/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-6-7-5-8(22(23)24)3-4-9(7)16/h3-5H,6H2,1-2H3.
What are the key properties of (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 411.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91736361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).