9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene

C22H16FNO3 — CID 155520768

IUPAC9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCF)c1ccccc1-2
InChIInChI=1S/C22H16FNO3/c23-11-12-27-22-8-4-1-5-15(22)13-20-18-7-3-2-6-17(18)19-10-9-16(24(25)26)14-21(19)20/h1-10,13-14H,11-12H2
InChIKeyBVAXPTXGCKJZLB-UHFFFAOYSA-N
MW361.37 g/mol
LogP5.51
Rot. Bonds5

About 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene

9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene (PubChem CID 155520768) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene.

Molecular Properties

Compound Name9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene
PubChem CID155520768
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCF)c1ccccc1-2
InChIInChI=1S/C22H16FNO3/c23-11-12-27-22-8-4-1-5-15(22)13-20-18-7-3-2-6-17(18)19-10-9-16(24(25)26)14-21(19)20/h1-10,13-14H,11-12H2
InChIKeyBVAXPTXGCKJZLB-UHFFFAOYSA-N
XLogP5.51
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.51
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-Nitrofluoren-9-ylidene)methyl]phenol
CID 349156
Smba1, >=98% (hplc)
CID 6514209
1-[2-[2-[(2-Nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine
CID 71271357
4-[2-[(2-Nitrofluoren-9-ylidene)methyl]phenoxy]piperidine
CID 71271365
Ylidene)methyl)phenoxy)ethan-1-amine
CID 71271603
2-[2-[2-[(2-Nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine
CID 123347204
9-[[2-(2-Aminoethoxy)phenyl]methylidene]fluoren-2-amine
CID 123476268
1-Methyl-4-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine
CID 123511360
3-[2-[(2-Nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine
CID 123651547
1-[2-[2-[(2-Nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine
CID 123658232
4-[2-[(2-Nitrofluoren-9-ylidene)methyl]phenoxy]butan-1-amine
CID 123749389
(2S)-3-methyl-1-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]butan-2-amine
CID 123787998

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene?
The IUPAC name of 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene (CID 155520768) is 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene.
What is the SMILES notation for 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene?
The canonical SMILES for 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene is O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCF)c1ccccc1-2.
What is the InChIKey of 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene?
The InChIKey is BVAXPTXGCKJZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c23-11-12-27-22-8-4-1-5-15(22)13-20-18-7-3-2-6-17(18)19-10-9-16(24(25)26)14-21(19)20/h1-10,13-14H,11-12H2.
What are the key properties of 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene?
9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene has a molecular weight of 361.37 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(2-fluoroethoxy)phenyl]methylidene]-2-nitrofluorene is sourced from PubChem (CID 155520768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).