1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene

C14H12FNO3 — CID 101232592

IUPAC1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(C)c1
InChIInChI=1S/C14H12FNO3/c1-9-3-5-13(10(2)7-9)19-14-6-4-11(16(17)18)8-12(14)15/h3-8H,1-2H3
InChIKeyRIAWOTGRSCRDLQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene

1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene (PubChem CID 101232592) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
PubChem CID101232592
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(C)c1
InChIInChI=1S/C14H12FNO3/c1-9-3-5-13(10(2)7-9)19-14-6-4-11(16(17)18)8-12(14)15/h3-8H,1-2H3
InChIKeyRIAWOTGRSCRDLQ-UHFFFAOYSA-N
XLogP4.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.14
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

4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407172
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
CID 141314832
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
2-[4-(bromomethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 107088099
2-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene (CID 101232592) is 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene is Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(C)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene?
The InChIKey is RIAWOTGRSCRDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9-3-5-13(10(2)7-9)19-14-6-4-11(16(17)18)8-12(14)15/h3-8H,1-2H3.
What are the key properties of 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene?
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene has a molecular weight of 261.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 101232592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).