1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene

C18H14FNO3 — CID 22504092

IUPAC1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene
SMILESO=[N+]([O-])c1ccc(F)cc1OCCc1cccc2ccccc12
InChIInChI=1S/C18H14FNO3/c19-15-8-9-17(20(21)22)18(12-15)23-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2
InChIKeyVEEGFTFTSYLADU-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene

1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene (PubChem CID 22504092) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene
PubChem CID22504092
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene
SMILESO=[N+]([O-])c1ccc(F)cc1OCCc1cccc2ccccc12
InChIInChI=1S/C18H14FNO3/c19-15-8-9-17(20(21)22)18(12-15)23-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2
InChIKeyVEEGFTFTSYLADU-UHFFFAOYSA-N
XLogP4.51
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene?
The IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene (CID 22504092) is 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene.
What is the SMILES notation for 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene?
The canonical SMILES for 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene is O=[N+]([O-])c1ccc(F)cc1OCCc1cccc2ccccc12.
What is the InChIKey of 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene?
The InChIKey is VEEGFTFTSYLADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-15-8-9-17(20(21)22)18(12-15)23-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2.
What are the key properties of 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene?
1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene has a molecular weight of 311.31 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]naphthalene is sourced from PubChem (CID 22504092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).