[1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate

C13H18FNO3 — CID 153453950

IUPAC[1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate
SMILESCOCC(CNF)OC(=O)CCc1ccccc1
InChIInChI=1S/C13H18FNO3/c1-17-10-12(9-15-14)18-13(16)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyZIPOVUMOVDGUIN-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.65
Rot. Bonds8

About [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate

[1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate (PubChem CID 153453950) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate
PubChem CID153453950
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name[1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate
SMILESCOCC(CNF)OC(=O)CCc1ccccc1
InChIInChI=1S/C13H18FNO3/c1-17-10-12(9-15-14)18-13(16)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyZIPOVUMOVDGUIN-UHFFFAOYSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
dichloromethyl 3-phenylpropanoate
CID 174396202
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
[(3S,5S)-5-hydroxy-1-phenylhexan-3-yl] 3-phenylpropanoate
CID 16751051
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
butan-2-yl 3-phenylpropanoate
CID 562005
(4-methoxy-2-methylbutyl) 3-phenylpropanoate
CID 91702047
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
tetradecan-4-yl 3-phenylpropanoate
CID 591386
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
CID 56593002
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
ethyl 2-(3-phenylpropanoyloxy)propanoate
CID 13096485

Frequently Asked Questions

What is the IUPAC name of [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate?
The IUPAC name of [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate (CID 153453950) is [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate.
What is the SMILES notation for [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate?
The canonical SMILES for [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate is COCC(CNF)OC(=O)CCc1ccccc1.
What is the InChIKey of [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate?
The InChIKey is ZIPOVUMOVDGUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-17-10-12(9-15-14)18-13(16)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3.
What are the key properties of [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate?
[1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate has a molecular weight of 255.29 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(fluoroamino)-3-methoxypropan-2-yl] 3-phenylpropanoate is sourced from PubChem (CID 153453950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).