2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene

C13H11BrF2OS — CID 79887659

IUPAC2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
SMILESFc1cc(CBr)cc(F)c1OCCc1cccs1
InChIInChI=1S/C13H11BrF2OS/c14-8-9-6-11(15)13(12(16)7-9)17-4-3-10-2-1-5-18-10/h1-2,5-7H,3-4,8H2
InChIKeySCPFVJRIDXDZOT-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.54
Rot. Bonds5

About 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene

2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene (PubChem CID 79887659) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
PubChem CID79887659
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
SMILESFc1cc(CBr)cc(F)c1OCCc1cccs1
InChIInChI=1S/C13H11BrF2OS/c14-8-9-6-11(15)13(12(16)7-9)17-4-3-10-2-1-5-18-10/h1-2,5-7H,3-4,8H2
InChIKeySCPFVJRIDXDZOT-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131
2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79887498
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 63776382
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
CID 114415831
2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63773539
5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
CID 79881360
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene?
The IUPAC name of 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene (CID 79887659) is 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene.
What is the SMILES notation for 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene?
The canonical SMILES for 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene is Fc1cc(CBr)cc(F)c1OCCc1cccs1.
What is the InChIKey of 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene?
The InChIKey is SCPFVJRIDXDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c14-8-9-6-11(15)13(12(16)7-9)17-4-3-10-2-1-5-18-10/h1-2,5-7H,3-4,8H2.
What are the key properties of 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene?
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene has a molecular weight of 333.20 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene is sourced from PubChem (CID 79887659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).