(4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone

C10H9BrF2OS — CID 130484859

IUPAC(4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone
SMILESO=C(c1cscc1Br)C1CCC(F)(F)C1
InChIInChI=1S/C10H9BrF2OS/c11-8-5-15-4-7(8)9(14)6-1-2-10(12,13)3-6/h4-6H,1-3H2
InChIKeyYTWKUACBZJDRBX-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.13
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone

(4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone (PubChem CID 130484859) has the molecular formula C10H9BrF2OS and a molecular weight of 295.15 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone
PubChem CID130484859
Molecular FormulaC10H9BrF2OS
Molecular Weight295.15 g/mol
Exact Mass293.95
IUPAC Name(4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone
SMILESO=C(c1cscc1Br)C1CCC(F)(F)C1
InChIInChI=1S/C10H9BrF2OS/c11-8-5-15-4-7(8)9(14)6-1-2-10(12,13)3-6/h4-6H,1-3H2
InChIKeyYTWKUACBZJDRBX-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone (CID 130484859) is (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone is O=C(c1cscc1Br)C1CCC(F)(F)C1.
What is the InChIKey of (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone?
The InChIKey is YTWKUACBZJDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2OS/c11-8-5-15-4-7(8)9(14)6-1-2-10(12,13)3-6/h4-6H,1-3H2.
What are the key properties of (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone?
(4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone has a molecular weight of 295.15 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(3,3-difluorocyclopentyl)methanone is sourced from PubChem (CID 130484859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).