2-chloro-1-iodo-4-(trifluoromethyl)benzene

C7H3ClF3I — CID 2736612

IUPAC2-chloro-1-iodo-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKeyULJRBVGSKAKZKQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.96
Rot. Bonds

About 2-chloro-1-iodo-4-(trifluoromethyl)benzene

2-chloro-1-iodo-4-(trifluoromethyl)benzene (PubChem CID 2736612) has the molecular formula C7H3ClF3I and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-chloro-1-iodo-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-iodo-4-(trifluoromethyl)benzene
PubChem CID2736612
Molecular FormulaC7H3ClF3I
Molecular Weight306.45 g/mol
Exact Mass305.89
IUPAC Name2-chloro-1-iodo-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKeyULJRBVGSKAKZKQ-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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Related Compounds

(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene
CID 134437886
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
2-iodo-5-(trifluoromethyl)benzaldehyde
CID 71650906
CID 71212803
CID 71212803
3-chloro-2-iodophenol;2-iodo-4-(trifluoromethyl)phenol
CID 174815972
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-methanidylazanium
CID 59280579
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 82080672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-iodo-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-iodo-4-(trifluoromethyl)benzene (CID 2736612) is 2-chloro-1-iodo-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-iodo-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-iodo-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-chloro-1-iodo-4-(trifluoromethyl)benzene?
The InChIKey is ULJRBVGSKAKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H.
What are the key properties of 2-chloro-1-iodo-4-(trifluoromethyl)benzene?
2-chloro-1-iodo-4-(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 2-chloro-1-iodo-4-(trifluoromethyl)benzene is sourced from PubChem (CID 2736612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).