2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene

C11H6BrClF2S — CID 63441429

IUPAC2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
SMILESFc1cc(F)cc(C(Br)c2ccc(Cl)s2)c1
InChIInChI=1S/C11H6BrClF2S/c12-11(9-1-2-10(13)16-9)6-3-7(14)5-8(15)4-6/h1-5,11H
InChIKeyYQTRNDJYMWSUBQ-UHFFFAOYSA-N
MW323.59 g/mol
LogP5.16
Rot. Bonds2

About 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene

2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene (PubChem CID 63441429) has the molecular formula C11H6BrClF2S and a molecular weight of 323.59 g/mol. Its IUPAC name is 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
PubChem CID63441429
Molecular FormulaC11H6BrClF2S
Molecular Weight323.59 g/mol
Exact Mass321.90
IUPAC Name2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
SMILESFc1cc(F)cc(C(Br)c2ccc(Cl)s2)c1
InChIInChI=1S/C11H6BrClF2S/c12-11(9-1-2-10(13)16-9)6-3-7(14)5-8(15)4-6/h1-5,11H
InChIKeyYQTRNDJYMWSUBQ-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(3-bromo-5-fluorophenyl)methyl]-5-chlorothiophene
CID 63441337
2-[bromo-(5-iodothiophen-3-yl)methyl]-5-chlorothiophene
CID 79683516
2-[bromo-(3-methylphenyl)methyl]-5-chlorothiophene
CID 63441697
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-chlorothiophene
CID 63441250
(5-chlorothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691647
(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351144
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
CID 114560642
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene
CID 63441426
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene
CID 63440342
2-[bromo-(2-iodophenyl)methyl]-5-chlorothiophene
CID 63441740

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene?
The IUPAC name of 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene (CID 63441429) is 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene?
The canonical SMILES for 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene is Fc1cc(F)cc(C(Br)c2ccc(Cl)s2)c1.
What is the InChIKey of 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene?
The InChIKey is YQTRNDJYMWSUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2S/c12-11(9-1-2-10(13)16-9)6-3-7(14)5-8(15)4-6/h1-5,11H.
What are the key properties of 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene?
2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene has a molecular weight of 323.59 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene is sourced from PubChem (CID 63441429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).