(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone

C11H5Br2F2NOS — CID 80534855

IUPAC(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
SMILESNc1cc(C(=O)c2cc(Br)c(Br)s2)c(F)cc1F
InChIInChI=1S/C11H5Br2F2NOS/c12-5-2-9(18-11(5)13)10(17)4-1-8(16)7(15)3-6(4)14/h1-3H,16H2
InChIKeyBBYQLMWYCOKKCO-UHFFFAOYSA-N
MW397.04 g/mol
LogP4.36
Rot. Bonds2

About (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone

(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 80534855) has the molecular formula C11H5Br2F2NOS and a molecular weight of 397.04 g/mol. Its IUPAC name is (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
PubChem CID80534855
Molecular FormulaC11H5Br2F2NOS
Molecular Weight397.04 g/mol
Exact Mass394.84
IUPAC Name(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
SMILESNc1cc(C(=O)c2cc(Br)c(Br)s2)c(F)cc1F
InChIInChI=1S/C11H5Br2F2NOS/c12-5-2-9(18-11(5)13)10(17)4-1-8(16)7(15)3-6(4)14/h1-3H,16H2
InChIKeyBBYQLMWYCOKKCO-UHFFFAOYSA-N
XLogP4.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.04
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80532481
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone (CID 80534855) is (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone is Nc1cc(C(=O)c2cc(Br)c(Br)s2)c(F)cc1F.
What is the InChIKey of (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is BBYQLMWYCOKKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2F2NOS/c12-5-2-9(18-11(5)13)10(17)4-1-8(16)7(15)3-6(4)14/h1-3H,16H2.
What are the key properties of (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone?
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone has a molecular weight of 397.04 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 80534855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).