Basic information
- CAS
4092-86-8- Standard SMILES
O=C(O)CCCc1ccc(N(CCF)CCF)cc1- InChIKey
NAFZHCNIHFKXOC-UHFFFAOYSA-N- Molecular formula
- C14H19F2NO2
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.13838517
Names & identifiers
- Preferred name
- Butyric acid, 4-(p-(bis(2-fluoroethyl)amino)phenyl)-
- IUPAC
- 4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acid
Names & synonyms
BUTYRIC ACID, 4-(p-(BIS(2-FLUOROETHYL)AMINO)PHENYL)-4092-86-8NSC 82835BRN 28138424-(p-(Bis(2-fluoroethyl)amino)phenyl)butyric acidDTXSID00193926RefChem:331320DTXCID40116417HRQ576LM4R4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acidNSC-828354-{4-[BIS(2-FLUOROETHYL)AMINO]PHENYL}BUTANOIC ACID
Show more names
NSC82835UNII-HRQ576LM4RNCIOpen2_0045324-[Bis(2-fluoroethyl)amino]benzenebutanoic acidBenzenebutanoic acid, 4-[bis(2-fluoroethyl)amino]-
Database identifiers
- CAS
4092-86-8- PubChem CID
- 20030
- DTXSID
DTXSID00193926- UNII
- HRQ576LM4R
- Nikkaji
- J65.863D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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