(2,5-difluorophenyl)-(3-iodophenyl)methanone

C13H7F2IO — CID 43159823

IUPAC(2,5-difluorophenyl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H7F2IO/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h1-7H
InChIKeyKWXALIOYEMZRIO-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.80
Rot. Bonds2

About (2,5-difluorophenyl)-(3-iodophenyl)methanone

(2,5-difluorophenyl)-(3-iodophenyl)methanone (PubChem CID 43159823) has the molecular formula C13H7F2IO and a molecular weight of 344.10 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-iodophenyl)methanone
PubChem CID43159823
Molecular FormulaC13H7F2IO
Molecular Weight344.10 g/mol
Exact Mass343.95
IUPAC Name(2,5-difluorophenyl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H7F2IO/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h1-7H
InChIKeyKWXALIOYEMZRIO-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

(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
(2-fluorophenyl)-(3-iodophenyl)methanone
CID 24722822
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
(2,3-difluorophenyl)-(3-iodophenyl)methanone
CID 114973513
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
CID 22260789
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(2,5-dimethylphenyl)-(3-iodophenyl)methanone
CID 43159705

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-iodophenyl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(3-iodophenyl)methanone (CID 43159823) is (2,5-difluorophenyl)-(3-iodophenyl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(3-iodophenyl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(3-iodophenyl)methanone?
The InChIKey is KWXALIOYEMZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2IO/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h1-7H.
What are the key properties of (2,5-difluorophenyl)-(3-iodophenyl)methanone?
(2,5-difluorophenyl)-(3-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 (2,5-difluorophenyl)-(3-iodophenyl)methanone is sourced from PubChem (CID 43159823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).