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

C7H3F4I — CID 2737343

IUPAC2-fluoro-4-iodo-1-(trifluoromethyl)benzene
SMILESFc1cc(I)ccc1C(F)(F)F
InChIInChI=1S/C7H3F4I/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H
InChIKeyAXHWCGXNDYZNFA-UHFFFAOYSA-N
MW290.00 g/mol
LogP3.45
Rot. Bonds

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

2-fluoro-4-iodo-1-(trifluoromethyl)benzene (PubChem CID 2737343) has the molecular formula C7H3F4I and a molecular weight of 290.00 g/mol. Its IUPAC name is 2-fluoro-4-iodo-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-iodo-1-(trifluoromethyl)benzene
PubChem CID2737343
Molecular FormulaC7H3F4I
Molecular Weight290.00 g/mol
Exact Mass289.92
IUPAC Name2-fluoro-4-iodo-1-(trifluoromethyl)benzene
SMILESFc1cc(I)ccc1C(F)(F)F
InChIInChI=1S/C7H3F4I/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H
InChIKeyAXHWCGXNDYZNFA-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 53.45
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 2-fluoro-4-iodo-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-iodo-1-(trifluoromethyl)benzene (CID 2737343) is 2-fluoro-4-iodo-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-iodo-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-iodo-1-(trifluoromethyl)benzene is Fc1cc(I)ccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-4-iodo-1-(trifluoromethyl)benzene?
The InChIKey is AXHWCGXNDYZNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4I/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H.
What are the key properties of 2-fluoro-4-iodo-1-(trifluoromethyl)benzene?
2-fluoro-4-iodo-1-(trifluoromethyl)benzene has a molecular weight of 290.00 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-1-(trifluoromethyl)benzene is sourced from PubChem (CID 2737343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).