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

C25H18F2N2O — CID 19606085

IUPAC9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol
SMILESOc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C25H18F2N2O/c26-23-11-16(7-9-28-23)14-25(15-17-8-10-29-24(27)12-17)21-4-2-1-3-19(21)20-6-5-18(30)13-22(20)25/h1-13,30H,14-15H2
InChIKeyLSXNGZSTIBYENE-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.21
Rot. Bonds4

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

9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol (PubChem CID 19606085) has the molecular formula C25H18F2N2O and a molecular weight of 400.43 g/mol. Its IUPAC name is 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol.

Molecular Properties

Compound Name9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol
PubChem CID19606085
Molecular FormulaC25H18F2N2O
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol
SMILESOc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C25H18F2N2O/c26-23-11-16(7-9-28-23)14-25(15-17-8-10-29-24(27)12-17)21-4-2-1-3-19(21)20-6-5-18(30)13-22(20)25/h1-13,30H,14-15H2
InChIKeyLSXNGZSTIBYENE-UHFFFAOYSA-N
XLogP5.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-2-ol?
The IUPAC name of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol (CID 19606085) is 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol.
What is the SMILES notation for 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol?
The canonical SMILES for 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol is Oc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol?
The InChIKey is LSXNGZSTIBYENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O/c26-23-11-16(7-9-28-23)14-25(15-17-8-10-29-24(27)12-17)21-4-2-1-3-19(21)20-6-5-18(30)13-22(20)25/h1-13,30H,14-15H2.
What are the key properties of 9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol?
9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-ol has a molecular weight of 400.43 g/mol, XLogP of 5.21, 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-2-ol is sourced from PubChem (CID 19606085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).