4-(1-Benzyloxycarbonylaminocyclopropyl)-2,3,5,6tetrafluorobenzoic acid
Basic information
- Standard SMILES
O=C(NC1(c2c(F)c(F)c(C(=O)O)c(F)c2F)CC1)OCc1ccccc1- InChIKey
KDMPIOBHKKKNSF-UHFFFAOYSA-N- Molecular formula
- C18H13F4NO4
- Average molar mass
- 383.3 g/mol
Names & identifiers
- Preferred name
- 4-(1-Benzyloxycarbonylaminocyclopropyl)-2,3,5,6tetrafluorobenzoic acid
- IUPAC
- 2,3,5,6-tetrafluoro-4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
Names & synonyms
SCHEMBL9872800KDMPIOBHKKKNSF-UHFFFAOYSA-N4-(1-benzyloxycarbonylaminocyclopropyl)-2,3,5,6tetrafluorobenzoic acid
Database identifiers
- PubChem CID
- 10045481
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Related reactions
2 records
Compound notes
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