3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene

C11H5Br3F2S — CID 80537267

IUPAC3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene
SMILESFc1cc(Br)cc(F)c1C(Br)c1sccc1Br
InChIInChI=1S/C11H5Br3F2S/c12-5-3-7(15)9(8(16)4-5)10(14)11-6(13)1-2-17-11/h1-4,10H
InChIKeyIDLHDEVRMHPWTC-UHFFFAOYSA-N
MW446.94 g/mol
LogP6.04
Rot. Bonds2

About 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene

3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene (PubChem CID 80537267) has the molecular formula C11H5Br3F2S and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene
PubChem CID80537267
Molecular FormulaC11H5Br3F2S
Molecular Weight446.94 g/mol
Exact Mass443.76
IUPAC Name3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene
SMILESFc1cc(Br)cc(F)c1C(Br)c1sccc1Br
InChIInChI=1S/C11H5Br3F2S/c12-5-3-7(15)9(8(16)4-5)10(14)11-6(13)1-2-17-11/h1-4,10H
InChIKeyIDLHDEVRMHPWTC-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 56.04
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-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148
2-[bromo-(2,4,6-trifluorophenyl)methyl]-3-ethylthiophene
CID 79975273
2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene
CID 130594330
3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
CID 80536988
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
3-bromo-2-[bromo-(2-methylsulfanylphenyl)methyl]thiophene
CID 80537224
3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene
CID 114560720
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
3-bromo-2-[bromo-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 80536997
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene (CID 80537267) is 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene is Fc1cc(Br)cc(F)c1C(Br)c1sccc1Br.
What is the InChIKey of 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene?
The InChIKey is IDLHDEVRMHPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3F2S/c12-5-3-7(15)9(8(16)4-5)10(14)11-6(13)1-2-17-11/h1-4,10H.
What are the key properties of 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene?
3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene has a molecular weight of 446.94 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 80537267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).