2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole

C6H7BrF2N2O — CID 164651903

IUPAC2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
SMILESCCC(F)(F)Cc1nnc(Br)o1
InChIInChI=1S/C6H7BrF2N2O/c1-2-6(8,9)3-4-10-11-5(7)12-4/h2-3H2,1H3
InChIKeyVZPSZFAPNSQOCR-UHFFFAOYSA-N
MW241.03 g/mol
LogP2.42
Rot. Bonds3

About 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole

2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole (PubChem CID 164651903) has the molecular formula C6H7BrF2N2O and a molecular weight of 241.03 g/mol. Its IUPAC name is 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
PubChem CID164651903
Molecular FormulaC6H7BrF2N2O
Molecular Weight241.03 g/mol
Exact Mass239.97
IUPAC Name2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
SMILESCCC(F)(F)Cc1nnc(Br)o1
InChIInChI=1S/C6H7BrF2N2O/c1-2-6(8,9)3-4-10-11-5(7)12-4/h2-3H2,1H3
InChIKeyVZPSZFAPNSQOCR-UHFFFAOYSA-N
XLogP2.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
CID 114771328
2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 114771093
2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
CID 114771387
2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771401
2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 53416664
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859615
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
3-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 84708074
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2,5-diethyl-1,3,4-oxadiazole
CID 11029848

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole (CID 164651903) is 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole is CCC(F)(F)Cc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole?
The InChIKey is VZPSZFAPNSQOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2O/c1-2-6(8,9)3-4-10-11-5(7)12-4/h2-3H2,1H3.
What are the key properties of 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole?
2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole has a molecular weight of 241.03 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole is sourced from PubChem (CID 164651903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).