methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate

C10H15F4NO2 — CID 106294424

IUPACmethyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
SMILESCCC(=CCNCC(F)(F)C(F)F)C(=O)OC
InChIInChI=1S/C10H15F4NO2/c1-3-7(8(16)17-2)4-5-15-6-10(13,14)9(11)12/h4,9,15H,3,5-6H2,1-2H3
InChIKeyMIESVKIWOIYJMV-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.99
Rot. Bonds7

About methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate

methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate (PubChem CID 106294424) has the molecular formula C10H15F4NO2 and a molecular weight of 257.23 g/mol. Its IUPAC name is methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
PubChem CID106294424
Molecular FormulaC10H15F4NO2
Molecular Weight257.23 g/mol
Exact Mass257.10
IUPAC Namemethyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
SMILESCCC(=CCNCC(F)(F)C(F)F)C(=O)OC
InChIInChI=1S/C10H15F4NO2/c1-3-7(8(16)17-2)4-5-15-6-10(13,14)9(11)12/h4,9,15H,3,5-6H2,1-2H3
InChIKeyMIESVKIWOIYJMV-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
CID 106737170
methyl 4-(cyclopropylmethylamino)-2-ethylbut-2-enoate
CID 103231152
methyl 4-[(2-amino-2-oxoethyl)amino]-2-ethylbut-2-enoate
CID 103235215
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173
methyl 2-ethyl-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]but-2-enoate
CID 103239189
methyl 4-[(4-amino-4-oxobutyl)amino]-2-ethylbut-2-enoate
CID 103239746
methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate
CID 103252912
methyl 4-(1,3-dihydroxypropan-2-ylamino)-2-ethylbut-2-enoate
CID 103237021
methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
CID 103238289
methyl 2-ethyl-4-[(1-hydroxycyclobutyl)methylamino]but-2-enoate
CID 103268373
methyl 2-ethyl-4-(4-methylsulfanylbutylamino)but-2-enoate
CID 103264046
methyl 2-ethyl-4-(3-methylsulfinylpropylamino)but-2-enoate
CID 103264976

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate (CID 106294424) is methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate is CCC(=CCNCC(F)(F)C(F)F)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate?
The InChIKey is MIESVKIWOIYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO2/c1-3-7(8(16)17-2)4-5-15-6-10(13,14)9(11)12/h4,9,15H,3,5-6H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate?
methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate has a molecular weight of 257.23 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate is sourced from PubChem (CID 106294424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).