2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene

C24H8F12I2 — CID 101408260

IUPAC2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene
SMILESFC(F)(F)C1(C(F)(F)F)c2cc(I)ccc2-c2cc3c(cc21)-c1ccc(I)cc1C3(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H8F12I2/c25-21(26,27)19(22(28,29)30)15-5-9(37)1-3-11(15)13-7-18-14(8-17(13)19)12-4-2-10(38)6-16(12)20(18,23(31,32)33)24(34,35)36/h1-8H
InChIKeyQNYDJHPBRHSDAQ-UHFFFAOYSA-N
MW778.11 g/mol
LogP9.68
Rot. Bonds

About 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene

2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene (PubChem CID 101408260) has the molecular formula C24H8F12I2 and a molecular weight of 778.11 g/mol. Its IUPAC name is 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene
PubChem CID101408260
Molecular FormulaC24H8F12I2
Molecular Weight778.11 g/mol
Exact Mass777.85
IUPAC Name2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene
SMILESFC(F)(F)C1(C(F)(F)F)c2cc(I)ccc2-c2cc3c(cc21)-c1ccc(I)cc1C3(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H8F12I2/c25-21(26,27)19(22(28,29)30)15-5-9(37)1-3-11(15)13-7-18-14(8-17(13)19)12-4-2-10(38)6-16(12)20(18,23(31,32)33)24(34,35)36/h1-8H
InChIKeyQNYDJHPBRHSDAQ-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.11
LogP ≤ 59.68
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 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene?
The IUPAC name of 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene (CID 101408260) is 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene?
The canonical SMILES for 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene is FC(F)(F)C1(C(F)(F)F)c2cc(I)ccc2-c2cc3c(cc21)-c1ccc(I)cc1C3(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene?
The InChIKey is QNYDJHPBRHSDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F12I2/c25-21(26,27)19(22(28,29)30)15-5-9(37)1-3-11(15)13-7-18-14(8-17(13)19)12-4-2-10(38)6-16(12)20(18,23(31,32)33)24(34,35)36/h1-8H.
What are the key properties of 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene?
2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene has a molecular weight of 778.11 g/mol, XLogP of 9.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diiodo-6,6,12,12-tetrakis(trifluoromethyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 101408260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).