3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene

C11H4Br2ClF3S — CID 102836767

IUPAC3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
SMILESFc1ccc(C(Br)c2cc(Br)c(Cl)s2)c(F)c1F
InChIInChI=1S/C11H4Br2ClF3S/c12-5-3-7(18-11(5)14)8(13)4-1-2-6(15)10(17)9(4)16/h1-3,8H
InChIKeyFCCLXIDQBCBGSP-UHFFFAOYSA-N
MW420.48 g/mol
LogP6.07
Rot. Bonds2

About 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene

3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene (PubChem CID 102836767) has the molecular formula C11H4Br2ClF3S and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
PubChem CID102836767
Molecular FormulaC11H4Br2ClF3S
Molecular Weight420.48 g/mol
Exact Mass417.80
IUPAC Name3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
SMILESFc1ccc(C(Br)c2cc(Br)c(Cl)s2)c(F)c1F
InChIInChI=1S/C11H4Br2ClF3S/c12-5-3-7(18-11(5)14)8(13)4-1-2-6(15)10(17)9(4)16/h1-3,8H
InChIKeyFCCLXIDQBCBGSP-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
CID 106855734
2-[bromo-(2,3,4-trifluorophenyl)methyl]-5-methylthiophene
CID 79755175
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
1-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 107477574
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
3-bromo-5-[bromo-(4-methylsulfanylphenyl)methyl]-2-chlorothiophene
CID 102837148
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene (CID 102836767) is 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene is Fc1ccc(C(Br)c2cc(Br)c(Cl)s2)c(F)c1F.
What is the InChIKey of 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene?
The InChIKey is FCCLXIDQBCBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2ClF3S/c12-5-3-7(18-11(5)14)8(13)4-1-2-6(15)10(17)9(4)16/h1-3,8H.
What are the key properties of 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene?
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene has a molecular weight of 420.48 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene is sourced from PubChem (CID 102836767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).