methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate

C7H9F4NO2 — CID 134921007

IUPACmethyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate
SMILESCCN/C(F)=C(\C(=O)OC)C(F)(F)F
InChIInChI=1S/C7H9F4NO2/c1-3-12-5(8)4(6(13)14-2)7(9,10)11/h12H,3H2,1-2H3/b5-4+
InChIKeyUMHAAHGGOAXEEG-SNAWJCMRSA-N
MW215.15 g/mol
LogP1.51
Rot. Bonds3

About methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate

methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate (PubChem CID 134921007) has the molecular formula C7H9F4NO2 and a molecular weight of 215.15 g/mol. Its IUPAC name is methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate
PubChem CID134921007
Molecular FormulaC7H9F4NO2
Molecular Weight215.15 g/mol
Exact Mass215.06
IUPAC Namemethyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate
SMILESCCN/C(F)=C(\C(=O)OC)C(F)(F)F
InChIInChI=1S/C7H9F4NO2/c1-3-12-5(8)4(6(13)14-2)7(9,10)11/h12H,3H2,1-2H3/b5-4+
InChIKeyUMHAAHGGOAXEEG-SNAWJCMRSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate;methyl 2-(trifluoromethyl)prop-2-enoate
CID 90771270
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
dimethyl 2-(2,2-dimethylpropanoylamino)-3-(trifluoromethyl)but-2-enedioate
CID 72961643
1,1,2-trifluoroethyl N-ethylcarbamate
CID 173025473
methyl (E)-4,4-dichloro-2,3,4-trifluorobut-2-enoate
CID 15051033
methyl 3-(dibenzylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate
CID 171792525
dimethyl (E)-2-(ethylamino)but-2-enedioate
CID 20644419
dimethyl 2-(chloromethyl)-2-fluoropropanedioate
CID 118607733
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 146459167
ethyl 3-amino-3-ethoxy-2-(trifluoromethyl)prop-2-enoate
CID 150072714
2-(bromomethyl)-3,3,3-trifluoroprop-1-ene;methyl acetate
CID 75529888
methyl (E)-4-(ethylamino)-2-methyl-4-oxobut-2-enoate
CID 177013425

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate (CID 134921007) is methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate is CCN/C(F)=C(\C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
The InChIKey is UMHAAHGGOAXEEG-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H9F4NO2/c1-3-12-5(8)4(6(13)14-2)7(9,10)11/h12H,3H2,1-2H3/b5-4+.
What are the key properties of methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate has a molecular weight of 215.15 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(ethylamino)-3-fluoro-2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 134921007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).