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

C11H4BrCl2FOS — CID 43248312

IUPAC(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4BrCl2FOS/c12-6-1-5(2-7(15)3-6)10(16)8-4-9(13)17-11(8)14/h1-4H
InChIKeyWSJPVIPHBUGQKQ-UHFFFAOYSA-N
MW354.03 g/mol
LogP5.19
Rot. Bonds2

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

(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 43248312) has the molecular formula C11H4BrCl2FOS and a molecular weight of 354.03 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID43248312
Molecular FormulaC11H4BrCl2FOS
Molecular Weight354.03 g/mol
Exact Mass351.85
IUPAC Name(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4BrCl2FOS/c12-6-1-5(2-7(15)3-6)10(16)8-4-9(13)17-11(8)14/h1-4H
InChIKeyWSJPVIPHBUGQKQ-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

(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
CID 43344745
2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 81331985
(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107998276
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 81323467
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949791
(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
CID 66425614
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43344718
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 43248312) is (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(F)cc(Br)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is WSJPVIPHBUGQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl2FOS/c12-6-1-5(2-7(15)3-6)10(16)8-4-9(13)17-11(8)14/h1-4H.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(3-bromo-5-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-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 43248312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).