2-[(1R)-1-azidoethyl]-9H-fluorene

C15H13N3 — CID 104853513

IUPAC2-[(1R)-1-azidoethyl]-9H-fluorene
SMILESC[C@@H](N=[N+]=[N-])c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H13N3/c1-10(17-18-16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8,10H,9H2,1H3/t10-/m1/s1
InChIKeySZYXSZFDAJFWJE-SNVBAGLBSA-N
MW235.29 g/mol
LogP4.63
Rot. Bonds2

About 2-[(1R)-1-azidoethyl]-9H-fluorene

2-[(1R)-1-azidoethyl]-9H-fluorene (PubChem CID 104853513) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(1R)-1-azidoethyl]-9H-fluorene.

Molecular Properties

Compound Name2-[(1R)-1-azidoethyl]-9H-fluorene
PubChem CID104853513
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-[(1R)-1-azidoethyl]-9H-fluorene
SMILESC[C@@H](N=[N+]=[N-])c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H13N3/c1-10(17-18-16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8,10H,9H2,1H3/t10-/m1/s1
InChIKeySZYXSZFDAJFWJE-SNVBAGLBSA-N
XLogP4.63
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-azidoethyl]-9H-fluorene?
The IUPAC name of 2-[(1R)-1-azidoethyl]-9H-fluorene (CID 104853513) is 2-[(1R)-1-azidoethyl]-9H-fluorene.
What is the SMILES notation for 2-[(1R)-1-azidoethyl]-9H-fluorene?
The canonical SMILES for 2-[(1R)-1-azidoethyl]-9H-fluorene is C[C@@H](N=[N+]=[N-])c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[(1R)-1-azidoethyl]-9H-fluorene?
The InChIKey is SZYXSZFDAJFWJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13N3/c1-10(17-18-16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8,10H,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-azidoethyl]-9H-fluorene?
2-[(1R)-1-azidoethyl]-9H-fluorene has a molecular weight of 235.29 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-azidoethyl]-9H-fluorene is sourced from PubChem (CID 104853513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).