3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene

C11H5Br2Cl2FS — CID 102836567

IUPAC3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
SMILESFc1cc(C(Cl)c2cc(Br)c(Cl)s2)ccc1Br
InChIInChI=1S/C11H5Br2Cl2FS/c12-6-2-1-5(3-8(6)16)10(14)9-4-7(13)11(15)17-9/h1-4,10H
InChIKeyLHTKMEIRWCJIMX-UHFFFAOYSA-N
MW418.94 g/mol
LogP6.39
Rot. Bonds2

About 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene

3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene (PubChem CID 102836567) has the molecular formula C11H5Br2Cl2FS and a molecular weight of 418.94 g/mol. Its IUPAC name is 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
PubChem CID102836567
Molecular FormulaC11H5Br2Cl2FS
Molecular Weight418.94 g/mol
Exact Mass415.78
IUPAC Name3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
SMILESFc1cc(C(Cl)c2cc(Br)c(Cl)s2)ccc1Br
InChIInChI=1S/C11H5Br2Cl2FS/c12-6-2-1-5(3-8(6)16)10(14)9-4-7(13)11(15)17-9/h1-4,10H
InChIKeyLHTKMEIRWCJIMX-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 56.39
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

3-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 107959212
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-bromo-5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835325
2,3-dibromo-5-[chloro-(3-fluoro-4-methylphenyl)methyl]thiophene
CID 80534421
3-bromo-5-[chloro-(3-chloro-4-fluorophenyl)methyl]-2-methylthiophene
CID 102835536
3-bromo-2-chloro-5-[chloro-(3-methylsulfonylphenyl)methyl]thiophene
CID 102836321
3-bromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 65278452
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
CID 80534336
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene (CID 102836567) is 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene is Fc1cc(C(Cl)c2cc(Br)c(Cl)s2)ccc1Br.
What is the InChIKey of 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
The InChIKey is LHTKMEIRWCJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2FS/c12-6-2-1-5(3-8(6)16)10(14)9-4-7(13)11(15)17-9/h1-4,10H.
What are the key properties of 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene has a molecular weight of 418.94 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene is sourced from PubChem (CID 102836567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).