1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene

C15H14FNO3 — CID 62663989

IUPAC1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene
SMILESCc1cc(C)c(C)c(Oc2cccc(F)c2[N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO3/c1-9-7-10(2)11(3)14(8-9)20-13-6-4-5-12(16)15(13)17(18)19/h4-8H,1-3H3
InChIKeyUOBMGYMXHBDQOP-UHFFFAOYSA-N
MW275.28 g/mol
LogP4.45
Rot. Bonds3

About 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene

1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene (PubChem CID 62663989) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene
PubChem CID62663989
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene
SMILESCc1cc(C)c(C)c(Oc2cccc(F)c2[N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO3/c1-9-7-10(2)11(3)14(8-9)20-13-6-4-5-12(16)15(13)17(18)19/h4-8H,1-3H3
InChIKeyUOBMGYMXHBDQOP-UHFFFAOYSA-N
XLogP4.45
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 54.45
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

2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
CID 62663992
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
2-fluoro-6-(2,3,5-trimethylphenoxy)benzenecarbothioamide
CID 79519677
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanone
CID 61030529
methyl 4-fluoro-3-(3-fluoro-2-nitrophenoxy)benzoate
CID 122622859
3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 106529559
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
CID 62662926

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene?
The IUPAC name of 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene (CID 62663989) is 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene?
The canonical SMILES for 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene is Cc1cc(C)c(C)c(Oc2cccc(F)c2[N+](=O)[O-])c1.
What is the InChIKey of 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene?
The InChIKey is UOBMGYMXHBDQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-7-10(2)11(3)14(8-9)20-13-6-4-5-12(16)15(13)17(18)19/h4-8H,1-3H3.
What are the key properties of 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene?
1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene has a molecular weight of 275.28 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene is sourced from PubChem (CID 62663989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).