1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene

C11F15I — CID 146814181

IUPAC1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(I)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11F15I/c12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(27)5(11(24,25)26)3(1)9(18,19)20
InChIKeySATIWVOUSRFDJJ-UHFFFAOYSA-N
MW544.00 g/mol
LogP7.39
Rot. Bonds

About 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene

1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene (PubChem CID 146814181) has the molecular formula C11F15I and a molecular weight of 544.00 g/mol. Its IUPAC name is 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene
PubChem CID146814181
Molecular FormulaC11F15I
Molecular Weight544.00 g/mol
Exact Mass543.88
IUPAC Name1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(I)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11F15I/c12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(27)5(11(24,25)26)3(1)9(18,19)20
InChIKeySATIWVOUSRFDJJ-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.00
LogP ≤ 57.39
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 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene?
The IUPAC name of 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene (CID 146814181) is 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene.
What is the SMILES notation for 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene?
The canonical SMILES for 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene is FC(F)(F)c1c(I)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene?
The InChIKey is SATIWVOUSRFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F15I/c12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(27)5(11(24,25)26)3(1)9(18,19)20.
What are the key properties of 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene?
1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene has a molecular weight of 544.00 g/mol, XLogP of 7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene is sourced from PubChem (CID 146814181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).