ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate

C14H17F2NO2 — CID 78977833

IUPACethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO2/c1-3-7-17(10-14(18)19-4-2)9-11-8-12(15)5-6-13(11)16/h3,5-6,8H,1,4,7,9-10H2,2H3
InChIKeyPHGVYKYFKGYZRU-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.52
Rot. Bonds7

About ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate

ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate (PubChem CID 78977833) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
PubChem CID78977833
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO2/c1-3-7-17(10-14(18)19-4-2)9-11-8-12(15)5-6-13(11)16/h3,5-6,8H,1,4,7,9-10H2,2H3
InChIKeyPHGVYKYFKGYZRU-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-bromo-5-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 78942093
ethyl 2-[(5-cyano-2-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977896
ethyl 2-[(2-chloro-3-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 112550232
ethyl 2-[(4-bromo-2-chlorophenyl)methyl-prop-2-enylamino]acetate
CID 113228495
ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
CID 115539193
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847
methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
CID 78977603
ethyl 2-[(2-chloro-4-nitrophenyl)methyl-prop-2-enylamino]acetate
CID 115539172
2-[(2-bromo-5-fluorophenyl)methyl-prop-2-enylamino]acetic acid
CID 79276072
ethyl 2-[(4-chloro-2-fluorophenyl)methyl-propylamino]acetate
CID 114857982
ethyl 2-[(3-bromothiophen-2-yl)methyl-prop-2-enylamino]acetate
CID 78977546
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate (CID 78977833) is ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)Cc1cc(F)ccc1F.
What is the InChIKey of ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate?
The InChIKey is PHGVYKYFKGYZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-3-7-17(10-14(18)19-4-2)9-11-8-12(15)5-6-13(11)16/h3,5-6,8H,1,4,7,9-10H2,2H3.
What are the key properties of ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate?
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate has a molecular weight of 269.29 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate is sourced from PubChem (CID 78977833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).