(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone

C11H5BrClFOS — CID 79595945

IUPAC(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1cscc1Br
InChIInChI=1S/C11H5BrClFOS/c12-9-5-16-4-8(9)11(15)7-2-1-6(13)3-10(7)14/h1-5H
InChIKeyBJDKQRQMXUIVPG-UHFFFAOYSA-N
MW319.58 g/mol
LogP4.53
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone

(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 79595945) has the molecular formula C11H5BrClFOS and a molecular weight of 319.58 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID79595945
Molecular FormulaC11H5BrClFOS
Molecular Weight319.58 g/mol
Exact Mass317.89
IUPAC Name(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1cscc1Br
InChIInChI=1S/C11H5BrClFOS/c12-9-5-16-4-8(9)11(15)7-2-1-6(13)3-10(7)14/h1-5H
InChIKeyBJDKQRQMXUIVPG-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049
(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
CID 114088321
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone (CID 79595945) is (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone is O=C(c1ccc(Cl)cc1F)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is BJDKQRQMXUIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFOS/c12-9-5-16-4-8(9)11(15)7-2-1-6(13)3-10(7)14/h1-5H.
What are the key properties of (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone?
(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 319.58 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 79595945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).