ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate

C14H18FNO2 — CID 55063479

IUPACethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)(C(=O)OCC)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-4-10-16-14(3,13(17)18-5-2)11-8-6-7-9-12(11)15/h4,6-9,16H,1,5,10H2,2-3H3
InChIKeyDNQBAKJQUOYDHN-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds6

About ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate

ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate (PubChem CID 55063479) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
PubChem CID55063479
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)(C(=O)OCC)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-4-10-16-14(3,13(17)18-5-2)11-8-6-7-9-12(11)15/h4,6-9,16H,1,5,10H2,2-3H3
InChIKeyDNQBAKJQUOYDHN-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxycarbonyl-2-(2-fluorophenyl)pent-4-enoic acid
CID 103974975
ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate
CID 55063576
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
methyl 2-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 82967568
2-(2,6-difluorophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341231
methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
CID 113388820
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate?
The IUPAC name of ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate (CID 55063479) is ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate?
The canonical SMILES for ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate is C=CCNC(C)(C(=O)OCC)c1ccccc1F.
What is the InChIKey of ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate?
The InChIKey is DNQBAKJQUOYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-4-10-16-14(3,13(17)18-5-2)11-8-6-7-9-12(11)15/h4,6-9,16H,1,5,10H2,2-3H3.
What are the key properties of ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate?
ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate has a molecular weight of 251.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 55063479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).