Basic information
- CAS
123279-53-8- Standard SMILES
COC(=O)CCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)c(C=C(F)F)c4C)C(C=C(F)F)=C3C- InChIKey
PPWOXUVBOGBFSQ-IUNJRDNESA-N- Molecular formula
- C36H34F4N4O4
- Average molar mass
- 662.7 g/mol
- Monoisotopic mass
- 662.25161823
Names & identifiers
- Preferred name
- 7,12-Bis(2,2-Difluoroethenyl)-3,8,13,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoic Acid Dimethyl Ester
- IUPAC
- methyl 3-[7,12-bis(2,2-difluoroethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoate
- English name
- 3(2),3(2),8(2),8(2)-tetrafluoroprotoporphyrin dimethyl ester
- Molecular formula
- C36H34F4N4O4
- Molecular weight
- 662.6731728
Names & synonyms
7,12-Bis(2,2-Difluoroethenyl)-3,8,13,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoic Acid Dimethyl Ester3,8-Fppd3(2),3(2),8(2),8(2)-Tetrafluoroprotoporphyrin dimethyl ester21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(2,2-difluoroethenyl)-3,8,13,17-tetramethyl-, dimethyl esterDimethyl 7,12-bis(2,2-difluoroethenyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate
Database identifiers
- CAS
123279-53-8- PubChem CID
- 137321908
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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