(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone

C11H5Br2FOS — CID 82808642

IUPAC(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1cscc1Br
InChIInChI=1S/C11H5Br2FOS/c12-8-3-6(1-2-10(8)14)11(15)7-4-16-5-9(7)13/h1-5H
InChIKeyGCFCLOHRHUNHIH-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.64
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone

(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone (PubChem CID 82808642) has the molecular formula C11H5Br2FOS and a molecular weight of 364.03 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
PubChem CID82808642
Molecular FormulaC11H5Br2FOS
Molecular Weight364.03 g/mol
Exact Mass361.84
IUPAC Name(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1cscc1Br
InChIInChI=1S/C11H5Br2FOS/c12-8-3-6(1-2-10(8)14)11(15)7-4-16-5-9(7)13/h1-5H
InChIKeyGCFCLOHRHUNHIH-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 79595945
(6-bromonaphthalen-2-yl)-(4-bromothiophen-3-yl)methanone
CID 115784083
(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
(4-bromothiophen-3-yl)-(4-iodophenyl)methanone
CID 115784171
(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115784148
(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 107949935
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 79595938
(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
CID 114088321
3-bromo-4-fluorobenzoyl bromide
CID 3018761

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone (CID 82808642) is (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone is O=C(c1ccc(F)c(Br)c1)c1cscc1Br.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is GCFCLOHRHUNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2FOS/c12-8-3-6(1-2-10(8)14)11(15)7-4-16-5-9(7)13/h1-5H.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone?
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 364.03 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 82808642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).