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2-(dipropylamino)ethyl 4-fluorobenzoate,Canonical SMILES: CCCN(CCC)CC

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摘 要: 2-(dipropylamino)ethyl 4-fluorobenzoate,Canonical SMILES: CCCN(CCC)CCOC(=O)C1=CC=C(C=C1)F,InChI: InChI=1/C15H22FNO2/c1-3-9-17(10-4-2)11-12-19-15(18)13-5-7-14(16)8-6-13/,h5-8H,3-4,9-12H2,1-2H3,Molecular Weight267.339083 [g/mol]Molecular FormulaC15H22
[Synonyms]

[Structure]
 2-(dipropylamino)ethyl 4-fluorobenzoate,Canonical SMILES: CCCN(CCC)CC

[ Properties Computed from Structure]
Molecular Weight267.339083 [g/mol]
Molecular FormulaC15H22FNO2
XLogP3.5
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count9
Exact Mass267.163457
MonoIsotopic Mass267.163457
Topological Polar Surface Area29.5
Heavy Atom Count19
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(dipropylamino)ethyl 4-fluorobenzoate
Canonical SMILES: CCCN(CCC)CCOC(=O)C1=CC=C(C=C1)F
InChI: InChI=1/C15H22FNO2/c1-3-9-17(10-4-2)11-12-19-15(18)13-5-7-14(16)8-6-13/
h5-8H,3-4,9-12H2,1-2H3

 
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