2-N-iodo-9H-fluorene-2,7-diamine

C13H11IN2 — CID 163741687

IUPAC2-N-iodo-9H-fluorene-2,7-diamine
SMILESNc1ccc2c(c1)Cc1cc(NI)ccc1-2
InChIInChI=1S/C13H11IN2/c14-16-11-2-4-13-9(7-11)5-8-6-10(15)1-3-12(8)13/h1-4,6-7,16H,5,15H2
InChIKeyLIIFOJVMZSDSGN-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.60
Rot. Bonds1

About 2-N-iodo-9H-fluorene-2,7-diamine

2-N-iodo-9H-fluorene-2,7-diamine (PubChem CID 163741687) has the molecular formula C13H11IN2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-N-iodo-9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-iodo-9H-fluorene-2,7-diamine
PubChem CID163741687
Molecular FormulaC13H11IN2
Molecular Weight322.15 g/mol
Exact Mass322.00
IUPAC Name2-N-iodo-9H-fluorene-2,7-diamine
SMILESNc1ccc2c(c1)Cc1cc(NI)ccc1-2
InChIInChI=1S/C13H11IN2/c14-16-11-2-4-13-9(7-11)5-8-6-10(15)1-3-12(8)13/h1-4,6-7,16H,5,15H2
InChIKeyLIIFOJVMZSDSGN-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

9H-fluorene-2,7-diamine
CID 10679
9H-fluorene-2,7-diamine;tetrahydrochloride
CID 140751459
9H-fluoren-2-amine;hydrobromide
CID 141482724
bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
CID 163502937
ethane;9H-fluoren-2-amine
CID 142950354
9H-fluorene-3,6-diamine
CID 23110770
7-ethynyl-9H-fluoren-2-amine
CID 118494896
7-(4-methylphenyl)-9H-fluoren-2-amine
CID 59742324
5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine
CID 142820657
5-amino-3H-2-benzofuran-1-one;5-hydrazinyl-3H-2-benzofuran-1-one
CID 118174442
5-N-(9H-fluoren-2-yl)pyridine-3,5-diamine
CID 104532159
N-(9H-fluoren-2-yl)formamide
CID 23389

Frequently Asked Questions

What is the IUPAC name of 2-N-iodo-9H-fluorene-2,7-diamine?
The IUPAC name of 2-N-iodo-9H-fluorene-2,7-diamine (CID 163741687) is 2-N-iodo-9H-fluorene-2,7-diamine.
What is the SMILES notation for 2-N-iodo-9H-fluorene-2,7-diamine?
The canonical SMILES for 2-N-iodo-9H-fluorene-2,7-diamine is Nc1ccc2c(c1)Cc1cc(NI)ccc1-2.
What is the InChIKey of 2-N-iodo-9H-fluorene-2,7-diamine?
The InChIKey is LIIFOJVMZSDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2/c14-16-11-2-4-13-9(7-11)5-8-6-10(15)1-3-12(8)13/h1-4,6-7,16H,5,15H2.
What are the key properties of 2-N-iodo-9H-fluorene-2,7-diamine?
2-N-iodo-9H-fluorene-2,7-diamine has a molecular weight of 322.15 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-iodo-9H-fluorene-2,7-diamine is sourced from PubChem (CID 163741687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).