Completing data — usually done within a minute
Basic information
- CAS
99724-24-0- Standard SMILES
CC1(n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(F)c32)CC1- InChIKey
OMAISPXKCBPCDQ-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO3
- Average molar mass
- 297.23 g/mol
- Monoisotopic mass
- 297.06127784
Names & identifiers
- Preferred name
- 6,7,8-Trifluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 6,7,8-trifluoro-1-(1-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
Names & synonyms
6,7,8-trifluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-quinolinecarboxylic acidSCHEMBL10677340OMAISPXKCBPCDQ-UHFFFAOYSA-NDTXSID70112883499724-24-06,7,8-Trifluoro-1-(1-methylcyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
99724-24-0- PubChem CID
- 13772829
- DTXSID
DTXSID701128834
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 532
Related reactions
13 records
Compound notes
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