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

C13H7F2IO — CID 114973513

IUPAC(2,3-difluorophenyl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1cccc(F)c1F
InChIInChI=1S/C13H7F2IO/c14-11-6-2-5-10(12(11)15)13(17)8-3-1-4-9(16)7-8/h1-7H
InChIKeyISOVUPZKSPNXFA-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.80
Rot. Bonds2

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

(2,3-difluorophenyl)-(3-iodophenyl)methanone (PubChem CID 114973513) has the molecular formula C13H7F2IO and a molecular weight of 344.10 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-iodophenyl)methanone
PubChem CID114973513
Molecular FormulaC13H7F2IO
Molecular Weight344.10 g/mol
Exact Mass343.95
IUPAC Name(2,3-difluorophenyl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1cccc(F)c1F
InChIInChI=1S/C13H7F2IO/c14-11-6-2-5-10(12(11)15)13(17)8-3-1-4-9(16)7-8/h1-7H
InChIKeyISOVUPZKSPNXFA-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-fluorophenyl)-(3-iodophenyl)methanone
CID 24722822
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(2,5-difluorophenyl)-(3-iodophenyl)methanone
CID 43159823
(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 114973502
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 114973538

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-iodophenyl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(3-iodophenyl)methanone (CID 114973513) is (2,3-difluorophenyl)-(3-iodophenyl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(3-iodophenyl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(3-iodophenyl)methanone?
The InChIKey is ISOVUPZKSPNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2IO/c14-11-6-2-5-10(12(11)15)13(17)8-3-1-4-9(16)7-8/h1-7H.
What are the key properties of (2,3-difluorophenyl)-(3-iodophenyl)methanone?
(2,3-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 (2,3-difluorophenyl)-(3-iodophenyl)methanone is sourced from PubChem (CID 114973513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).