4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene

C11H6BrF2IS — CID 79684552

IUPAC4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene
SMILESFc1ccc(F)c(C(Br)c2csc(I)c2)c1
InChIInChI=1S/C11H6BrF2IS/c12-11(6-3-10(15)16-5-6)8-4-7(13)1-2-9(8)14/h1-5,11H
InChIKeyIIUVBJVNRXLDQS-UHFFFAOYSA-N
MW415.04 g/mol
LogP5.12
Rot. Bonds2

About 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene

4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene (PubChem CID 79684552) has the molecular formula C11H6BrF2IS and a molecular weight of 415.04 g/mol. Its IUPAC name is 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene.

Molecular Properties

Compound Name4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene
PubChem CID79684552
Molecular FormulaC11H6BrF2IS
Molecular Weight415.04 g/mol
Exact Mass413.84
IUPAC Name4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene
SMILESFc1ccc(F)c(C(Br)c2csc(I)c2)c1
InChIInChI=1S/C11H6BrF2IS/c12-11(6-3-10(15)16-5-6)8-4-7(13)1-2-9(8)14/h1-5,11H
InChIKeyIIUVBJVNRXLDQS-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.04
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene
CID 79683828
4-[bromo-(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-iodothiophene
CID 79684071
4-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-iodothiophene
CID 81050515
(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
CID 115793727
6-[bromo-(2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61097695
4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303
2-[bromo-(5-iodothiophen-3-yl)methyl]-5-chlorothiophene
CID 79683516
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-iodothiophene
CID 79691582
1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63437114
[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105297096
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
CID 79684464

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene?
The IUPAC name of 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene (CID 79684552) is 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene.
What is the SMILES notation for 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene?
The canonical SMILES for 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene is Fc1ccc(F)c(C(Br)c2csc(I)c2)c1.
What is the InChIKey of 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene?
The InChIKey is IIUVBJVNRXLDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2IS/c12-11(6-3-10(15)16-5-6)8-4-7(13)1-2-9(8)14/h1-5,11H.
What are the key properties of 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene?
4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene has a molecular weight of 415.04 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene is sourced from PubChem (CID 79684552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).