2-iodo-9,9-di(propan-2-yl)fluorene

C19H21I — CID 23072844

IUPAC2-iodo-9,9-di(propan-2-yl)fluorene
SMILESCC(C)C1(C(C)C)c2ccccc2-c2ccc(I)cc21
InChIInChI=1S/C19H21I/c1-12(2)19(13(3)4)17-8-6-5-7-15(17)16-10-9-14(20)11-18(16)19/h5-13H,1-4H3
InChIKeyCMFHBESIIKDLPS-UHFFFAOYSA-N
MW376.28 g/mol
LogP5.87
Rot. Bonds2

About 2-iodo-9,9-di(propan-2-yl)fluorene

2-iodo-9,9-di(propan-2-yl)fluorene (PubChem CID 23072844) has the molecular formula C19H21I and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-iodo-9,9-di(propan-2-yl)fluorene.

Molecular Properties

Compound Name2-iodo-9,9-di(propan-2-yl)fluorene
PubChem CID23072844
Molecular FormulaC19H21I
Molecular Weight376.28 g/mol
Exact Mass376.07
IUPAC Name2-iodo-9,9-di(propan-2-yl)fluorene
SMILESCC(C)C1(C(C)C)c2ccccc2-c2ccc(I)cc21
InChIInChI=1S/C19H21I/c1-12(2)19(13(3)4)17-8-6-5-7-15(17)16-10-9-14(20)11-18(16)19/h5-13H,1-4H3
InChIKeyCMFHBESIIKDLPS-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.87
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 2-iodo-9,9-di(propan-2-yl)fluorene?
The IUPAC name of 2-iodo-9,9-di(propan-2-yl)fluorene (CID 23072844) is 2-iodo-9,9-di(propan-2-yl)fluorene.
What is the SMILES notation for 2-iodo-9,9-di(propan-2-yl)fluorene?
The canonical SMILES for 2-iodo-9,9-di(propan-2-yl)fluorene is CC(C)C1(C(C)C)c2ccccc2-c2ccc(I)cc21.
What is the InChIKey of 2-iodo-9,9-di(propan-2-yl)fluorene?
The InChIKey is CMFHBESIIKDLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21I/c1-12(2)19(13(3)4)17-8-6-5-7-15(17)16-10-9-14(20)11-18(16)19/h5-13H,1-4H3.
What are the key properties of 2-iodo-9,9-di(propan-2-yl)fluorene?
2-iodo-9,9-di(propan-2-yl)fluorene has a molecular weight of 376.28 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-9,9-di(propan-2-yl)fluorene is sourced from PubChem (CID 23072844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).