Hydrocinnamic acid, p-(bis(2-fluoroethyl)amino)-
Basic information
- CAS
4093-12-3- Standard SMILES
O=C(O)CCc1ccc(N(CCF)CCF)cc1- InChIKey
VUFNDRFVBDIXGF-UHFFFAOYSA-N- Molecular formula
- C13H17F2NO2
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.12273511
Names & identifiers
- Preferred name
- Hydrocinnamic acid, p-(bis(2-fluoroethyl)amino)-
- IUPAC
- 3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
- English name
- 3-[4-(bis(2-fluoroethyl)amino)phenyl]propanoic acid
- Molecular formula
- C13H17F2NO2
- Molecular weight
- 0
Names & synonyms
4093-12-3HYDROCINNAMIC ACID, p-(BIS(2-FLUOROETHYL)AMINO)-NSC 83298BRN 2944399p-(Bis(2-fluoroethyl)amino)hydrocinnamic acidDTXSID70193933Hydrocinnamic acid, p-[bis(2-fluoroethyl)amino]-RefChem:348325DTXCID101164243-[4-(BIS(2-FLUOROETHYL)AMINO)PHENYL]PROPANOIC ACID3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acidNSC-83298
Show more names
3-{4-[BIS(2-FLUOROETHYL)AMINO]PHENYL}PROPANOIC ACIDNSC83298LN6RZ8HHZ9NCIOpen2_0047894-[Bis(2-fluoroethyl)amino]benzenepropanoic acidBenzenepropanoic acid, 4-[bis(2-fluoroethyl)amino]-
Database identifiers
- CAS
4093-12-3- PubChem CID
- 20034
- DTXSID
DTXSID70193933- UNII
- LN6RZ8HHZ9
- Nikkaji
- J77.818D
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 237
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Related reactions
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Compound notes
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