(3,4-difluorophenyl)-(4-iodophenyl)methanone

C13H7F2IO — CID 24723141

IUPAC(3,4-difluorophenyl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F2IO/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7H
InChIKeyMOACLHVWLJRANL-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.80
Rot. Bonds2

About (3,4-difluorophenyl)-(4-iodophenyl)methanone

(3,4-difluorophenyl)-(4-iodophenyl)methanone (PubChem CID 24723141) has the molecular formula C13H7F2IO and a molecular weight of 344.10 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-iodophenyl)methanone
PubChem CID24723141
Molecular FormulaC13H7F2IO
Molecular Weight344.10 g/mol
Exact Mass343.95
IUPAC Name(3,4-difluorophenyl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F2IO/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7H
InChIKeyMOACLHVWLJRANL-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
CID 117000378
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
1,2-difluoro-4-iodobenzene
CID 2724444
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
(4-fluorophenyl)-[4-[2-[4-(4-iodobenzoyl)phenyl]ethynyl]phenyl]methanone
CID 70875973

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-iodophenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-iodophenyl)methanone (CID 24723141) is (3,4-difluorophenyl)-(4-iodophenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-iodophenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(4-iodophenyl)methanone?
The InChIKey is MOACLHVWLJRANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2IO/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7H.
What are the key properties of (3,4-difluorophenyl)-(4-iodophenyl)methanone?
(3,4-difluorophenyl)-(4-iodophenyl)methanone has a molecular weight of 344.10 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 24723141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).