1-chloro-3-iodo-5-(trifluoromethyl)benzene

C7H3ClF3I — CID 15365957

IUPAC1-chloro-3-iodo-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)cc(I)c1
InChIInChI=1S/C7H3ClF3I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H
InChIKeyLJWHHSGVKPUZEL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.96
Rot. Bonds

About 1-chloro-3-iodo-5-(trifluoromethyl)benzene

1-chloro-3-iodo-5-(trifluoromethyl)benzene (PubChem CID 15365957) has the molecular formula C7H3ClF3I and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-chloro-3-iodo-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-iodo-5-(trifluoromethyl)benzene
PubChem CID15365957
Molecular FormulaC7H3ClF3I
Molecular Weight306.45 g/mol
Exact Mass305.89
IUPAC Name1-chloro-3-iodo-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)cc(I)c1
InChIInChI=1S/C7H3ClF3I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H
InChIKeyLJWHHSGVKPUZEL-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.96
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-chloro-3-iodo-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-iodo-5-(trifluoromethyl)benzene (CID 15365957) is 1-chloro-3-iodo-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-iodo-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-iodo-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)cc(I)c1.
What is the InChIKey of 1-chloro-3-iodo-5-(trifluoromethyl)benzene?
The InChIKey is LJWHHSGVKPUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H.
What are the key properties of 1-chloro-3-iodo-5-(trifluoromethyl)benzene?
1-chloro-3-iodo-5-(trifluoromethyl)benzene has a molecular weight of 306.45 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-5-(trifluoromethyl)benzene is sourced from PubChem (CID 15365957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).