3,6-Difluoro-2,5-bis(aziridinyl)-1,4-benzoquinone
Basic information
- CAS
2341-31-3- Standard SMILES
O=C1C(F)=C(N2CC2)C(=O)C(F)=C1N1CC1- InChIKey
SXHRKCIELHYDFG-UHFFFAOYSA-N- Molecular formula
- C10H8F2N2O2
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.05538383
Overview
structure in first source
Names & identifiers
- Preferred name
- 3,6-Difluoro-2,5-bis(aziridinyl)-1,4-benzoquinone
- IUPAC
- 2,5-bis(aziridin-1-yl)-3,6-difluorocyclohexa-2,5-diene-1,4-dione
Names & synonyms
3,6-difluoro-2,5-bis(aziridinyl)-1,4-benzoquinoneF-DZQRefChem:910743TW 192341-31-3TW192,5-bis(aziridin-1-yl)-3,6-difluorocyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3,6-difluoro-CHEMBL121453SCHEMBL10794132DTXSID201779652,5-Bis(1-aziridinyl)-3,6-difluoro-2,5-cyclohexadiene-1,4-dione
Show more names
NSC208829NSC 208829NSC-2088292,4-dione, 2,5-bis(1-aziridinyl)-3,6-difluoro-
Database identifiers
- CAS
2341-31-3- PubChem CID
- 99301
- DTXSID
DTXSID20177965- ChEMBL
CHEMBL121453- Nikkaji
- J454.858B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 429
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Related reactions
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Compound notes
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