(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone

C11H4Br2F2OS — CID 106941718

IUPAC(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H4Br2F2OS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4H
InChIKeyVBWOSRMOFJVWSX-UHFFFAOYSA-N
MW382.02 g/mol
LogP4.78
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone

(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone (PubChem CID 106941718) has the molecular formula C11H4Br2F2OS and a molecular weight of 382.02 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
PubChem CID106941718
Molecular FormulaC11H4Br2F2OS
Molecular Weight382.02 g/mol
Exact Mass379.83
IUPAC Name(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H4Br2F2OS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4H
InChIKeyVBWOSRMOFJVWSX-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.02
LogP ≤ 54.78
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-[5-(5-bromothiophen-2-yl)thiophene-2-carbonyl]-2,3,5,6-tetrafluorophenyl]-[5-(5-bromothiophen-2-yl)thiophen-2-yl]methanone
CID 101372333
(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone
CID 106944362
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone (CID 106941718) is (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone is O=C(c1ccc(Br)s1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone?
The InChIKey is VBWOSRMOFJVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2F2OS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone?
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone has a molecular weight of 382.02 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 106941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).