2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene

C12H9BrF2OS — CID 106269960

IUPAC2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
SMILESFc1ccc(Br)c(F)c1COCc1cccs1
InChIInChI=1S/C12H9BrF2OS/c13-10-3-4-11(14)9(12(10)15)7-16-6-8-2-1-5-17-8/h1-5H,6-7H2
InChIKeyCLLNFMALTNCSFX-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.51
Rot. Bonds4

About 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene

2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene (PubChem CID 106269960) has the molecular formula C12H9BrF2OS and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
PubChem CID106269960
Molecular FormulaC12H9BrF2OS
Molecular Weight319.17 g/mol
Exact Mass317.95
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
SMILESFc1ccc(Br)c(F)c1COCc1cccs1
InChIInChI=1S/C12H9BrF2OS/c13-10-3-4-11(14)9(12(10)15)7-16-6-8-2-1-5-17-8/h1-5H,6-7H2
InChIKeyCLLNFMALTNCSFX-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 106268693
1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
CID 114166545
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 106274231
2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
CID 106264551
1-(3-bromo-2,6-difluorophenyl)-2-thiophen-2-ylethanol
CID 106941958
2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
CID 107347955
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 114165699
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
2-(ethoxymethyl)thiophene
CID 12699283
[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485253
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
CID 63073470

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene (CID 106269960) is 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene is Fc1ccc(Br)c(F)c1COCc1cccs1.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene?
The InChIKey is CLLNFMALTNCSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2OS/c13-10-3-4-11(14)9(12(10)15)7-16-6-8-2-1-5-17-8/h1-5H,6-7H2.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene?
2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene has a molecular weight of 319.17 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene is sourced from PubChem (CID 106269960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).