1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene

C24H13F6I — CID 86233116

IUPAC1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc3c2I)cc1
InChIInChI=1S/C24H13F6I/c25-23(26,27)16-9-5-14(6-10-16)20-13-21(22(31)19-4-2-1-3-18(19)20)15-7-11-17(12-8-15)24(28,29)30/h1-13H
InChIKeyMUENAMZWGHTDAG-UHFFFAOYSA-N
MW542.26 g/mol
LogP8.82
Rot. Bonds2

About 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene

1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene (PubChem CID 86233116) has the molecular formula C24H13F6I and a molecular weight of 542.26 g/mol. Its IUPAC name is 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene.

Molecular Properties

Compound Name1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene
PubChem CID86233116
Molecular FormulaC24H13F6I
Molecular Weight542.26 g/mol
Exact Mass542.00
IUPAC Name1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc3c2I)cc1
InChIInChI=1S/C24H13F6I/c25-23(26,27)16-9-5-14(6-10-16)20-13-21(22(31)19-4-2-1-3-18(19)20)15-7-11-17(12-8-15)24(28,29)30/h1-13H
InChIKeyMUENAMZWGHTDAG-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.26
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
4,10-bis[4-(trifluoromethyl)phenyl]pyrene
CID 122550344
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237
5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 90297078
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
CID 71733892
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene?
The IUPAC name of 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene (CID 86233116) is 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene.
What is the SMILES notation for 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene?
The canonical SMILES for 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene is FC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc3c2I)cc1.
What is the InChIKey of 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene?
The InChIKey is MUENAMZWGHTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F6I/c25-23(26,27)16-9-5-14(6-10-16)20-13-21(22(31)19-4-2-1-3-18(19)20)15-7-11-17(12-8-15)24(28,29)30/h1-13H.
What are the key properties of 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene?
1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene has a molecular weight of 542.26 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene is sourced from PubChem (CID 86233116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).