2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate

C9H10F5NO3 — CID 91694697

IUPAC2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO3/c1-5(2)6(16)18-4-3-15-7(17)8(10,11)9(12,13)14/h1,3-4H2,2H3,(H,15,17)
InChIKeyUPFUCOJUSKQAET-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.42
Rot. Bonds5

About 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate

2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 91694697) has the molecular formula C9H10F5NO3 and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
PubChem CID91694697
Molecular FormulaC9H10F5NO3
Molecular Weight275.17 g/mol
Exact Mass275.06
IUPAC Name2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO3/c1-5(2)6(16)18-4-3-15-7(17)8(10,11)9(12,13)14/h1,3-4H2,2H3,(H,15,17)
InChIKeyUPFUCOJUSKQAET-UHFFFAOYSA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.42
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

2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate
CID 23324464
2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
CID 146334641
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 89368142
2-[(3,3,4,4-tetrafluoro-4-sulfanylbutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 89309082
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 130348448
2-[[(3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 90287202
2-[[(3R,3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 70169084

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate (CID 91694697) is 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is UPFUCOJUSKQAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO3/c1-5(2)6(16)18-4-3-15-7(17)8(10,11)9(12,13)14/h1,3-4H2,2H3,(H,15,17).
What are the key properties of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate?
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 275.17 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 91694697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).