(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone

C11H5BrClFOS — CID 105398225

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H5BrClFOS/c12-8-4-10(14)7(3-9(8)13)11(15)6-1-2-16-5-6/h1-5H
InChIKeySHXFXPHKRZTRMD-UHFFFAOYSA-N
MW319.58 g/mol
LogP4.53
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone

(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone (PubChem CID 105398225) has the molecular formula C11H5BrClFOS and a molecular weight of 319.58 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
PubChem CID105398225
Molecular FormulaC11H5BrClFOS
Molecular Weight319.58 g/mol
Exact Mass317.89
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H5BrClFOS/c12-8-4-10(14)7(3-9(8)13)11(15)6-1-2-16-5-6/h1-5H
InChIKeySHXFXPHKRZTRMD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone (CID 105398225) is (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone?
The InChIKey is SHXFXPHKRZTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFOS/c12-8-4-10(14)7(3-9(8)13)11(15)6-1-2-16-5-6/h1-5H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone?
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone 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-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 105398225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).