5-bromo-3-(1,1-difluoroethyl)-1-benzofuran

C10H7BrF2O — CID 84710327

IUPAC5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
SMILESCC(F)(F)c1coc2ccc(Br)cc12
InChIInChI=1S/C10H7BrF2O/c1-10(12,13)8-5-14-9-3-2-6(11)4-7(8)9/h2-5H,1H3
InChIKeyWZEWRMZHMKDERP-UHFFFAOYSA-N
MW261.06 g/mol
LogP4.31
Rot. Bonds1

About 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran

5-bromo-3-(1,1-difluoroethyl)-1-benzofuran (PubChem CID 84710327) has the molecular formula C10H7BrF2O and a molecular weight of 261.06 g/mol. Its IUPAC name is 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
PubChem CID84710327
Molecular FormulaC10H7BrF2O
Molecular Weight261.06 g/mol
Exact Mass259.96
IUPAC Name5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
SMILESCC(F)(F)c1coc2ccc(Br)cc12
InChIInChI=1S/C10H7BrF2O/c1-10(12,13)8-5-14-9-3-2-6(11)4-7(8)9/h2-5H,1H3
InChIKeyWZEWRMZHMKDERP-UHFFFAOYSA-N
XLogP4.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(trifluoromethyl)-1-benzofuran
CID 71669158
5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
CID 132580628
5-bromo-3-methoxy-1-benzofuran
CID 83823580
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
6-bromo-3-(1,1-difluoroethyl)-1-methylindole
CID 84713699
6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714736
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 10496906
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
1-(5-bromo-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
CID 90298932
3-(4-bromophenyl)-5-fluoro-1-benzofuran
CID 10565480

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran?
The IUPAC name of 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran (CID 84710327) is 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran is CC(F)(F)c1coc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran?
The InChIKey is WZEWRMZHMKDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O/c1-10(12,13)8-5-14-9-3-2-6(11)4-7(8)9/h2-5H,1H3.
What are the key properties of 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran?
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran has a molecular weight of 261.06 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,1-difluoroethyl)-1-benzofuran is sourced from PubChem (CID 84710327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).