(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone

C14H9BrFIO2 — CID 114019718

IUPAC(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrFIO2/c1-19-12-6-5-8(17)7-10(12)14(18)9-3-2-4-11(15)13(9)16/h2-7H,1H3
InChIKeyMALZULNGOJWTBP-UHFFFAOYSA-N
MW435.03 g/mol
LogP4.43
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone

(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 114019718) has the molecular formula C14H9BrFIO2 and a molecular weight of 435.03 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID114019718
Molecular FormulaC14H9BrFIO2
Molecular Weight435.03 g/mol
Exact Mass433.88
IUPAC Name(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrFIO2/c1-19-12-6-5-8(17)7-10(12)14(18)9-3-2-4-11(15)13(9)16/h2-7H,1H3
InChIKeyMALZULNGOJWTBP-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.03
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 112580769
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80536150
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone (CID 114019718) is (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is MALZULNGOJWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFIO2/c1-19-12-6-5-8(17)7-10(12)14(18)9-3-2-4-11(15)13(9)16/h2-7H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 435.03 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 114019718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).