4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline

C25H18F2N2 — CID 44629774

IUPAC4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline
SMILESNc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C25H18F2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2
InChIKeyRXNKCIBVUNMMAD-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.49
Rot. Bonds2

About 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline

4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline (PubChem CID 44629774) has the molecular formula C25H18F2N2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline
PubChem CID44629774
Molecular FormulaC25H18F2N2
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline
SMILESNc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C25H18F2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2
InChIKeyRXNKCIBVUNMMAD-UHFFFAOYSA-N
XLogP5.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline?
The IUPAC name of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline (CID 44629774) is 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline.
What is the SMILES notation for 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline?
The canonical SMILES for 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline is Nc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F.
What is the InChIKey of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline?
The InChIKey is RXNKCIBVUNMMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2.
What are the key properties of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline?
4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline has a molecular weight of 384.43 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline is sourced from PubChem (CID 44629774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).