1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene

C14H12FNO4 — CID 88752865

IUPAC1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene
SMILESO=[N+]([O-])c1c(OCCF)cccc1Oc1ccccc1
InChIInChI=1S/C14H12FNO4/c15-9-10-19-12-7-4-8-13(14(12)16(17)18)20-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyPXGZDQRTZSRAFR-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene

1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene (PubChem CID 88752865) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene
PubChem CID88752865
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene
SMILESO=[N+]([O-])c1c(OCCF)cccc1Oc1ccccc1
InChIInChI=1S/C14H12FNO4/c15-9-10-19-12-7-4-8-13(14(12)16(17)18)20-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyPXGZDQRTZSRAFR-UHFFFAOYSA-N
XLogP3.74
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
CID 106485640
2-nitro-1,3-dioctoxybenzene
CID 537243
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1-[2-(4-fluorophenoxy)ethoxy]-3-methyl-2-nitrobenzene
CID 112828309
[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
CID 175523343
3-(4-chlorophenoxy)-2-nitroaniline
CID 80864379
2-(2-phenoxyphenoxy)ethanamine
CID 18769450
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
1-(3,3-dimethylbutoxy)-3-fluoro-2-nitrobenzene
CID 66233603

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene?
The IUPAC name of 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene (CID 88752865) is 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene.
What is the SMILES notation for 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene?
The canonical SMILES for 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene is O=[N+]([O-])c1c(OCCF)cccc1Oc1ccccc1.
What is the InChIKey of 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene?
The InChIKey is PXGZDQRTZSRAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c15-9-10-19-12-7-4-8-13(14(12)16(17)18)20-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene?
1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene has a molecular weight of 277.25 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene is sourced from PubChem (CID 88752865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).