1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine

C27H23F2N3 — CID 19606078

IUPAC1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C27H23F2N3/c1-30-17-20-6-7-22-21-4-2-3-5-23(21)27(24(22)12-20,15-18-8-10-31-25(28)13-18)16-19-9-11-32-26(29)14-19/h2-14,30H,15-17H2,1H3
InChIKeyOWKSVJYAIDCIGC-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.23
Rot. Bonds6

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

1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine (PubChem CID 19606078) has the molecular formula C27H23F2N3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine
PubChem CID19606078
Molecular FormulaC27H23F2N3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C27H23F2N3/c1-30-17-20-6-7-22-21-4-2-3-5-23(21)27(24(22)12-20,15-18-8-10-31-25(28)13-18)16-19-9-11-32-26(29)14-19/h2-14,30H,15-17H2,1H3
InChIKeyOWKSVJYAIDCIGC-UHFFFAOYSA-N
XLogP5.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.23
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 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine (CID 19606078) is 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine is CNCc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine?
The InChIKey is OWKSVJYAIDCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3/c1-30-17-20-6-7-22-21-4-2-3-5-23(21)27(24(22)12-20,15-18-8-10-31-25(28)13-18)16-19-9-11-32-26(29)14-19/h2-14,30H,15-17H2,1H3.
What are the key properties of 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine?
1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine has a molecular weight of 427.50 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]-N-methylmethanamine is sourced from PubChem (CID 19606078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).