3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene

C11H6Br2ClFS — CID 114560720

IUPAC3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene
SMILESFc1cccc(Br)c1C(Cl)c1sccc1Br
InChIInChI=1S/C11H6Br2ClFS/c12-6-2-1-3-8(15)9(6)10(14)11-7(13)4-5-16-11/h1-5,10H
InChIKeyMFCKXAQKUATTJN-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.74
Rot. Bonds2

About 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene

3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene (PubChem CID 114560720) has the molecular formula C11H6Br2ClFS and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene
PubChem CID114560720
Molecular FormulaC11H6Br2ClFS
Molecular Weight384.50 g/mol
Exact Mass381.82
IUPAC Name3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene
SMILESFc1cccc(Br)c1C(Cl)c1sccc1Br
InChIInChI=1S/C11H6Br2ClFS/c12-6-2-1-3-8(15)9(6)10(14)11-7(13)4-5-16-11/h1-5,10H
InChIKeyMFCKXAQKUATTJN-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.74
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-6-fluorophenyl)-(3-bromothiophen-2-yl)methyl]hydrazine
CID 105280536
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
N-[(2-bromo-6-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 114559088
5-bromo-3-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 114560698
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
1-[(2-bromo-6-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114560686
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80534984
3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene
CID 80537267

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene?
The IUPAC name of 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene (CID 114560720) is 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene.
What is the SMILES notation for 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene?
The canonical SMILES for 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene is Fc1cccc(Br)c1C(Cl)c1sccc1Br.
What is the InChIKey of 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene?
The InChIKey is MFCKXAQKUATTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFS/c12-6-2-1-3-8(15)9(6)10(14)11-7(13)4-5-16-11/h1-5,10H.
What are the key properties of 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene?
3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene has a molecular weight of 384.50 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene is sourced from PubChem (CID 114560720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).