7-[3,5-Difluoro-4-(2-propynyloxy)benzoyl]-7-azabicyclo[4.1.0]heptane

HCID 57701178
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Basic information

Standard SMILES
C#CCOc1c(F)cc(C(=O)N2C3CCCCC32)cc1F
InChIKey
LCTUFFSCANTEDN-UHFFFAOYSA-N
Molecular formula
C16H15F2NO2
Average molar mass
291.29 g/mol

Names & identifiers

Preferred name
7-[3,5-Difluoro-4-(2-propynyloxy)benzoyl]-7-azabicyclo[4.1.0]heptane
IUPAC
7-azabicyclo[4.1.0]heptan-7-yl-(3,5-difluoro-4-prop-2-ynoxyphenyl)methanone

Names & synonyms

SCHEMBL4245845LCTUFFSCANTEDN-UHFFFAOYSA-N7-[3,5-difluoro-4-(2-propynyloxy)benzoyl]-7-azabicyclo[4.1.0]heptane

Database identifiers

PubChem CID
57701178

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
29.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

Related reactions

8 records
New reaction record

Linked notes

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