(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone

C11H4BrCl2FOS — CID 107949792

IUPAC(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C11H4BrCl2FOS/c12-7-3-1-2-5(9(7)15)10(16)6-4-8(13)17-11(6)14/h1-4H
InChIKeyIFMDTLZTWHQODQ-UHFFFAOYSA-N
MW354.03 g/mol
LogP5.19
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone

(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107949792) has the molecular formula C11H4BrCl2FOS and a molecular weight of 354.03 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107949792
Molecular FormulaC11H4BrCl2FOS
Molecular Weight354.03 g/mol
Exact Mass351.85
IUPAC Name(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C11H4BrCl2FOS/c12-7-3-1-2-5(9(7)15)10(16)6-4-8(13)17-11(6)14/h1-4H
InChIKeyIFMDTLZTWHQODQ-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.03
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949791
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
CID 27672192
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 107949792) is (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is IFMDTLZTWHQODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl2FOS/c12-7-3-1-2-5(9(7)15)10(16)6-4-8(13)17-11(6)14/h1-4H.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 354.03 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107949792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).