1-iodo-6-methyl-9H-fluorene

C14H11I — CID 146386961

IUPAC1-iodo-6-methyl-9H-fluorene
SMILESCc1ccc2c(c1)-c1cccc(I)c1C2
InChIInChI=1S/C14H11I/c1-9-5-6-10-8-13-11(12(10)7-9)3-2-4-14(13)15/h2-7H,8H2,1H3
InChIKeyTYICRPJRJLLNTR-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.17
Rot. Bonds

About 1-iodo-6-methyl-9H-fluorene

1-iodo-6-methyl-9H-fluorene (PubChem CID 146386961) has the molecular formula C14H11I and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-iodo-6-methyl-9H-fluorene.

Molecular Properties

Compound Name1-iodo-6-methyl-9H-fluorene
PubChem CID146386961
Molecular FormulaC14H11I
Molecular Weight306.15 g/mol
Exact Mass305.99
IUPAC Name1-iodo-6-methyl-9H-fluorene
SMILESCc1ccc2c(c1)-c1cccc(I)c1C2
InChIInChI=1S/C14H11I/c1-9-5-6-10-8-13-11(12(10)7-9)3-2-4-14(13)15/h2-7H,8H2,1H3
InChIKeyTYICRPJRJLLNTR-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-6-methyl-9H-fluorene?
The IUPAC name of 1-iodo-6-methyl-9H-fluorene (CID 146386961) is 1-iodo-6-methyl-9H-fluorene.
What is the SMILES notation for 1-iodo-6-methyl-9H-fluorene?
The canonical SMILES for 1-iodo-6-methyl-9H-fluorene is Cc1ccc2c(c1)-c1cccc(I)c1C2.
What is the InChIKey of 1-iodo-6-methyl-9H-fluorene?
The InChIKey is TYICRPJRJLLNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11I/c1-9-5-6-10-8-13-11(12(10)7-9)3-2-4-14(13)15/h2-7H,8H2,1H3.
What are the key properties of 1-iodo-6-methyl-9H-fluorene?
1-iodo-6-methyl-9H-fluorene has a molecular weight of 306.15 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-6-methyl-9H-fluorene is sourced from PubChem (CID 146386961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).