(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone

C13H7ClFIO — CID 24723076

IUPAC(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7ClFIO/c14-11-7-9(4-5-12(11)15)13(17)8-2-1-3-10(16)6-8/h1-7H
InChIKeyFYTQUYIRBYAYKF-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.31
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone

(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone (PubChem CID 24723076) has the molecular formula C13H7ClFIO and a molecular weight of 360.55 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
PubChem CID24723076
Molecular FormulaC13H7ClFIO
Molecular Weight360.55 g/mol
Exact Mass359.92
IUPAC Name(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7ClFIO/c14-11-7-9(4-5-12(11)15)13(17)8-2-1-3-10(16)6-8/h1-7H
InChIKeyFYTQUYIRBYAYKF-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.31
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 (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone (CID 24723076) is (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone?
The InChIKey is FYTQUYIRBYAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIO/c14-11-7-9(4-5-12(11)15)13(17)8-2-1-3-10(16)6-8/h1-7H.
What are the key properties of (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone?
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone has a molecular weight of 360.55 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone is sourced from PubChem (CID 24723076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).