(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone

C14H8ClF2IO — CID 114030596

IUPAC(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)ccc2I)c(F)cc1F
InChIInChI=1S/C14H8ClF2IO/c1-7-4-9(12(17)6-11(7)16)14(19)10-5-8(15)2-3-13(10)18/h2-6H,1H3
InChIKeyZIWYADBPAKZAPP-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.76
Rot. Bonds2

About (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone

(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 114030596) has the molecular formula C14H8ClF2IO and a molecular weight of 392.57 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID114030596
Molecular FormulaC14H8ClF2IO
Molecular Weight392.57 g/mol
Exact Mass391.93
IUPAC Name(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)ccc2I)c(F)cc1F
InChIInChI=1S/C14H8ClF2IO/c1-7-4-9(12(17)6-11(7)16)14(19)10-5-8(15)2-3-13(10)18/h2-6H,1H3
InChIKeyZIWYADBPAKZAPP-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.76
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

(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
CID 115791492
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone (CID 114030596) is (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2cc(Cl)ccc2I)c(F)cc1F.
What is the InChIKey of (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is ZIWYADBPAKZAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2IO/c1-7-4-9(12(17)6-11(7)16)14(19)10-5-8(15)2-3-13(10)18/h2-6H,1H3.
What are the key properties of (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone?
(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 392.57 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 114030596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).