4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene

C14H6F6I2S — CID 87538612

IUPAC4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(I)ccc1Sc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C14H6F6I2S/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H
InChIKeyBELRUKDZEHFMLS-UHFFFAOYSA-N
MW574.07 g/mol
LogP7.08
Rot. Bonds2

About 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene

4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene (PubChem CID 87538612) has the molecular formula C14H6F6I2S and a molecular weight of 574.07 g/mol. Its IUPAC name is 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene
PubChem CID87538612
Molecular FormulaC14H6F6I2S
Molecular Weight574.07 g/mol
Exact Mass573.82
IUPAC Name4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(I)ccc1Sc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C14H6F6I2S/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H
InChIKeyBELRUKDZEHFMLS-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.07
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene (CID 87538612) is 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(I)ccc1Sc1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene?
The InChIKey is BELRUKDZEHFMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6I2S/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H.
What are the key properties of 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene?
4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene has a molecular weight of 574.07 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]sulfanyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 87538612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).