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

C27H23F2N3 — CID 67756206

IUPAC9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine
SMILESNc1cccc2c1C(CCc1ccnc(F)c1)(CCc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C27H23F2N3/c28-24-16-18(10-14-31-24)8-12-27(13-9-19-11-15-32-25(29)17-19)22-6-2-1-4-20(22)21-5-3-7-23(30)26(21)27/h1-7,10-11,14-17H,8-9,12-13,30H2
InChIKeyDHVZLAKOZCRICN-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.87
Rot. Bonds6

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

9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine (PubChem CID 67756206) has the molecular formula C27H23F2N3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine.

Molecular Properties

Compound Name9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine
PubChem CID67756206
Molecular FormulaC27H23F2N3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine
SMILESNc1cccc2c1C(CCc1ccnc(F)c1)(CCc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C27H23F2N3/c28-24-16-18(10-14-31-24)8-12-27(13-9-19-11-15-32-25(29)17-19)22-6-2-1-4-20(22)21-5-3-7-23(30)26(21)27/h1-7,10-11,14-17H,8-9,12-13,30H2
InChIKeyDHVZLAKOZCRICN-UHFFFAOYSA-N
XLogP5.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.87
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-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine?
The IUPAC name of 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine (CID 67756206) is 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine.
What is the SMILES notation for 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine?
The canonical SMILES for 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine is Nc1cccc2c1C(CCc1ccnc(F)c1)(CCc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine?
The InChIKey is DHVZLAKOZCRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3/c28-24-16-18(10-14-31-24)8-12-27(13-9-19-11-15-32-25(29)17-19)22-6-2-1-4-20(22)21-5-3-7-23(30)26(21)27/h1-7,10-11,14-17H,8-9,12-13,30H2.
What are the key properties of 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine?
9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine has a molecular weight of 427.50 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[2-(2-fluoro-4-pyridinyl)ethyl]fluoren-1-amine is sourced from PubChem (CID 67756206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).