(2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone

C9H7Br2FOS — CID 131223609

IUPAC(2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2cc(Br)sc2Br)CC1F
InChIInChI=1S/C9H7Br2FOS/c1-9(3-5(9)12)7(13)4-2-6(10)14-8(4)11/h2,5H,3H2,1H3
InChIKeyIUKHYUWFDJEOAU-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.20
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone

(2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131223609) has the molecular formula C9H7Br2FOS and a molecular weight of 342.03 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131223609
Molecular FormulaC9H7Br2FOS
Molecular Weight342.03 g/mol
Exact Mass339.86
IUPAC Name(2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2cc(Br)sc2Br)CC1F
InChIInChI=1S/C9H7Br2FOS/c1-9(3-5(9)12)7(13)4-2-6(10)14-8(4)11/h2,5H,3H2,1H3
InChIKeyIUKHYUWFDJEOAU-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone (CID 131223609) is (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone is CC1(C(=O)c2cc(Br)sc2Br)CC1F.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is IUKHYUWFDJEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2FOS/c1-9(3-5(9)12)7(13)4-2-6(10)14-8(4)11/h2,5H,3H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
(2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 342.03 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131223609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).