3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene

C15H4Br2F6I2 — CID 59245679

IUPAC3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene
SMILESFC(F)(F)C1(C(F)(F)F)c2cc(I)c(Br)cc2-c2cc(Br)c(I)cc21
InChIInChI=1S/C15H4Br2F6I2/c16-9-1-5-6-2-10(17)12(25)4-8(6)13(14(18,19)20,15(21,22)23)7(5)3-11(9)24/h1-4H
InChIKeyPKNAXLMGQNNXHF-UHFFFAOYSA-N
MW711.80 g/mol
LogP7.81
Rot. Bonds

About 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene

3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene (PubChem CID 59245679) has the molecular formula C15H4Br2F6I2 and a molecular weight of 711.80 g/mol. Its IUPAC name is 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene
PubChem CID59245679
Molecular FormulaC15H4Br2F6I2
Molecular Weight711.80 g/mol
Exact Mass709.67
IUPAC Name3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene
SMILESFC(F)(F)C1(C(F)(F)F)c2cc(I)c(Br)cc2-c2cc(Br)c(I)cc21
InChIInChI=1S/C15H4Br2F6I2/c16-9-1-5-6-2-10(17)12(25)4-8(6)13(14(18,19)20,15(21,22)23)7(5)3-11(9)24/h1-4H
InChIKeyPKNAXLMGQNNXHF-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.80
LogP ≤ 57.81
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 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene?
The IUPAC name of 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene (CID 59245679) is 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene.
What is the SMILES notation for 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene?
The canonical SMILES for 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene is FC(F)(F)C1(C(F)(F)F)c2cc(I)c(Br)cc2-c2cc(Br)c(I)cc21.
What is the InChIKey of 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene?
The InChIKey is PKNAXLMGQNNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4Br2F6I2/c16-9-1-5-6-2-10(17)12(25)4-8(6)13(14(18,19)20,15(21,22)23)7(5)3-11(9)24/h1-4H.
What are the key properties of 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene?
3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene has a molecular weight of 711.80 g/mol, XLogP of 7.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 59245679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).