(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone

C11H5BrFIOS — CID 115784588

IUPAC(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1cc(Br)ccc1F
InChIInChI=1S/C11H5BrFIOS/c12-7-1-2-9(13)8(4-7)11(15)6-3-10(14)16-5-6/h1-5H
InChIKeyRAXLCQRADISBHF-UHFFFAOYSA-N
MW411.03 g/mol
LogP4.49
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone

(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone (PubChem CID 115784588) has the molecular formula C11H5BrFIOS and a molecular weight of 411.03 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
PubChem CID115784588
Molecular FormulaC11H5BrFIOS
Molecular Weight411.03 g/mol
Exact Mass409.83
IUPAC Name(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1cc(Br)ccc1F
InChIInChI=1S/C11H5BrFIOS/c12-7-1-2-9(13)8(4-7)11(15)6-3-10(14)16-5-6/h1-5H
InChIKeyRAXLCQRADISBHF-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.03
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone (CID 115784588) is (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is RAXLCQRADISBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFIOS/c12-7-1-2-9(13)8(4-7)11(15)6-3-10(14)16-5-6/h1-5H.
What are the key properties of (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone?
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 411.03 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 115784588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).