(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone

C13H7ClFIO — CID 115791492

IUPAC(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1ccccc1I
InChIInChI=1S/C13H7ClFIO/c14-8-5-6-9(11(15)7-8)13(17)10-3-1-2-4-12(10)16/h1-7H
InChIKeyIBDPKLXWDUMPJD-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.31
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone

(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone (PubChem CID 115791492) has the molecular formula C13H7ClFIO and a molecular weight of 360.55 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
PubChem CID115791492
Molecular FormulaC13H7ClFIO
Molecular Weight360.55 g/mol
Exact Mass359.92
IUPAC Name(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1ccccc1I
InChIInChI=1S/C13H7ClFIO/c14-8-5-6-9(11(15)7-8)13(17)10-3-1-2-4-12(10)16/h1-7H
InChIKeyIBDPKLXWDUMPJD-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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Related Compounds

(3,5-dichlorophenyl)-(2-iodophenyl)methanone
CID 24723135
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
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(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
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(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone (CID 115791492) is (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone is O=C(c1ccc(Cl)cc1F)c1ccccc1I.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone?
The InChIKey is IBDPKLXWDUMPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIO/c14-8-5-6-9(11(15)7-8)13(17)10-3-1-2-4-12(10)16/h1-7H.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone?
(4-chloro-2-fluorophenyl)-(2-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 (4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone is sourced from PubChem (CID 115791492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).