(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone

C11H3Br3ClFOS — CID 106764125

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H3Br3ClFOS/c12-5-2-1-4(9(16)8(5)15)10(17)7-3-6(13)11(14)18-7/h1-3H
InChIKeyWWXUTJDGSVBJJQ-UHFFFAOYSA-N
MW477.37 g/mol
LogP6.06
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 106764125) has the molecular formula C11H3Br3ClFOS and a molecular weight of 477.37 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
PubChem CID106764125
Molecular FormulaC11H3Br3ClFOS
Molecular Weight477.37 g/mol
Exact Mass473.71
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H3Br3ClFOS/c12-5-2-1-4(9(16)8(5)15)10(17)7-3-6(13)11(14)18-7/h1-3H
InChIKeyWWXUTJDGSVBJJQ-UHFFFAOYSA-N
XLogP6.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 80534855
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80532481
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone (CID 106764125) is (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is WWXUTJDGSVBJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Br3ClFOS/c12-5-2-1-4(9(16)8(5)15)10(17)7-3-6(13)11(14)18-7/h1-3H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone has a molecular weight of 477.37 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 106764125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).