7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene

C16H17I — CID 70876606

IUPAC7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene
SMILESCC1C=CC2=C(C1)c1ccc(I)cc1C2(C)C
InChIInChI=1S/C16H17I/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)16(14,2)3/h4-7,9-10H,8H2,1-3H3
InChIKeyRADZGQSEFIBTJF-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.93
Rot. Bonds

About 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene

7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene (PubChem CID 70876606) has the molecular formula C16H17I and a molecular weight of 336.22 g/mol. Its IUPAC name is 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene.

Molecular Properties

Compound Name7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene
PubChem CID70876606
Molecular FormulaC16H17I
Molecular Weight336.22 g/mol
Exact Mass336.04
IUPAC Name7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene
SMILESCC1C=CC2=C(C1)c1ccc(I)cc1C2(C)C
InChIInChI=1S/C16H17I/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)16(14,2)3/h4-7,9-10H,8H2,1-3H3
InChIKeyRADZGQSEFIBTJF-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.93
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 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene?
The IUPAC name of 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene (CID 70876606) is 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene.
What is the SMILES notation for 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene?
The canonical SMILES for 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene is CC1C=CC2=C(C1)c1ccc(I)cc1C2(C)C.
What is the InChIKey of 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene?
The InChIKey is RADZGQSEFIBTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17I/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)16(14,2)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene?
7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene has a molecular weight of 336.22 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene is sourced from PubChem (CID 70876606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).