Hydrocinnamic acid, m-(bis(2-fluoroethyl)amino)-
Basic information
- CAS
1148-78-3- Standard SMILES
O=C(O)CCc1cccc(N(CCF)CCF)c1- InChIKey
PVCKFWPANVOENB-UHFFFAOYSA-N- Molecular formula
- C13H17F2NO2
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.12273511
Names & identifiers
- Preferred name
- Hydrocinnamic acid, m-(bis(2-fluoroethyl)amino)-
- IUPAC
- 3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
- English name
- 3-[3-(bis(2-fluoroethyl)amino)phenyl]propanoic acid
- Molecular formula
- C13H17F2NO2
- Molecular weight
- 0
Names & synonyms
1148-78-3HYDROCINNAMIC ACID, m-(BIS(2-FLUOROETHYL)AMINO)-NSC 77491BRN 2812522m-(Bis(2-fluoroethyl)amino)hydrocinnamic acidDTXSID60150858Hydrocinnamic acid, m-[bis(2-fluoroethyl)amino]-RefChem:348320DTXCID30733493-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid3-[3-(BIS(2-FLUOROETHYL)AMINO)PHENYL]PROPANOIC ACIDNSC-77491
Show more names
3-{3-[BIS(2-FLUOROETHYL)AMINO]PHENYL}PROPANOIC ACIDNSC77491LJJ49T6U2V3-[Bis(2-fluoroethyl)amino]benzenepropanoic acidDB-228511Benzenepropanoic acid, 3-[bis(2-fluoroethyl)amino]-
Database identifiers
- CAS
1148-78-3- PubChem CID
- 14376
- DTXSID
DTXSID60150858- UNII
- LJJ49T6U2V
- Nikkaji
- J77.817F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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