2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene

C14H11ClFNO3 — CID 80751937

IUPAC2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
SMILESCc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)cc(C)c1Cl
InChIInChI=1S/C14H11ClFNO3/c1-8-3-12(4-9(2)14(8)15)20-13-6-10(16)5-11(7-13)17(18)19/h3-7H,1-2H3
InChIKeySKYBGLVGAFMWNY-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.80
Rot. Bonds3

About 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene

2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene (PubChem CID 80751937) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
PubChem CID80751937
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
SMILESCc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)cc(C)c1Cl
InChIInChI=1S/C14H11ClFNO3/c1-8-3-12(4-9(2)14(8)15)20-13-6-10(16)5-11(7-13)17(18)19/h3-7H,1-2H3
InChIKeySKYBGLVGAFMWNY-UHFFFAOYSA-N
XLogP4.80
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
CID 80752060
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
1-(3-fluoro-5-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 80753064
2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
CID 80752387
3-(3,5-difluorophenoxy)-N-ethyl-5-nitroaniline
CID 80880134
ethyl 2-[4-(3-fluoro-5-nitrophenoxy)-2-methylphenoxy]-2-methylpropanoate
CID 58853834
1-fluoro-3-[3-(methoxymethyl)phenoxy]-5-nitrobenzene
CID 80752391
2-fluoro-4-(3-fluoro-5-nitrophenoxy)benzonitrile
CID 80752891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene (CID 80751937) is 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene is Cc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)cc(C)c1Cl.
What is the InChIKey of 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene?
The InChIKey is SKYBGLVGAFMWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-8-3-12(4-9(2)14(8)15)20-13-6-10(16)5-11(7-13)17(18)19/h3-7H,1-2H3.
What are the key properties of 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene?
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene has a molecular weight of 295.70 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 80751937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).