9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine

C25H19F2N3 — CID 18921574

IUPAC9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine
SMILESNc1cccc2c1C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C25H19F2N3/c26-22-12-16(8-10-29-22)14-25(15-17-9-11-30-23(27)13-17)20-6-2-1-4-18(20)19-5-3-7-21(28)24(19)25/h1-13H,14-15,28H2
InChIKeyXVIBLXLKCLXXSM-UHFFFAOYSA-N
MW399.44 g/mol
LogP5.09
Rot. Bonds4

About 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine

9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine (PubChem CID 18921574) has the molecular formula C25H19F2N3 and a molecular weight of 399.44 g/mol. Its IUPAC name is 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine.

Molecular Properties

Compound Name9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine
PubChem CID18921574
Molecular FormulaC25H19F2N3
Molecular Weight399.44 g/mol
Exact Mass399.15
IUPAC Name9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine
SMILESNc1cccc2c1C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C25H19F2N3/c26-22-12-16(8-10-29-22)14-25(15-17-9-11-30-23(27)13-17)20-6-2-1-4-18(20)19-5-3-7-21(28)24(19)25/h1-13H,14-15,28H2
InChIKeyXVIBLXLKCLXXSM-UHFFFAOYSA-N
XLogP5.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine?
The IUPAC name of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine (CID 18921574) is 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine.
What is the SMILES notation for 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine?
The canonical SMILES for 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine is Nc1cccc2c1C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine?
The InChIKey is XVIBLXLKCLXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3/c26-22-12-16(8-10-29-22)14-25(15-17-9-11-30-23(27)13-17)20-6-2-1-4-18(20)19-5-3-7-21(28)24(19)25/h1-13H,14-15,28H2.
What are the key properties of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine?
9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine has a molecular weight of 399.44 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine is sourced from PubChem (CID 18921574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).